1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione

Modify Date: 2026-05-12 15:56:23

1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione Structure
1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure
Common Name 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS Number 863003-48-9 Molecular Weight 391.4
Density N/A Boiling Point N/A
Molecular Formula C20H17N5O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Molecular Formula C20H17N5O2S
Molecular Weight 391.4
InChIKey WHFNXMZIHJBBEO-UHFFFAOYSA-N
SMILES CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=CC=N4)C(=O)N(C1=O)C

 Bioassay

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This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: HTS to identify inhibitors of TNF-alpha Induced Cell Death in Jurkat FADD-/- Cells.
Source: University of Pittsburgh Molecular Library Screening Center
Target: N/A
External Id: MH081226: Primary HTS for Inhibitors of a Novel Necrotic Cell Death Pathway # Jurkat FADD-/- Model.
Name: 384-well Z-Lyte format Hck-Nef inhibitor HTS run at the PMLSC
Source: University of Pittsburgh Molecular Library Screening Center
Target: N/A
External Id: MH083223 Targeting HIV-1 Nef with Small Molecules
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular formula of 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
A: Molecular formula of 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C20H17N5O2S.
Q: What is the InChIKey of 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
A: InChIKey of 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is WHFNXMZIHJBBEO-UHFFFAOYSA-N.
Q: What is the Chinese name of 863003-48-9?
A: Chinese name of 863003-48-9 is 863003-48-9.
Q: What is the CAS number of 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
A: CAS number of 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 863003-48-9.
Q: What is the SMILES notation of 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
A: SMILES notation of 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=CC=N4)C(=O)N(C1=O)C.
Q: What is the molecular weight of 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
A: Molecular weight of 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 391.4.
Q: What is the English name of 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
A: The English name of 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 1,3-dimethyl-7-phenyl-5-((pyridin-2-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione.
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