2-[[4-[3-(2-amino-4-methyl-6-sulfanylidene-3H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid

Modify Date: 2025-09-28 18:44:31

2-[[4-[3-(2-amino-4-methyl-6-sulfanylidene-3H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid structure	Common Name	2-[[4-[3-(2-amino-4-methyl-6-sulfanylidene-3H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid
	CAS Number	35960-66-8	Molecular Weight	447.50800
	Density	1.45g/cm3	Boiling Point	N/A
	Molecular Formula	C₂₀H₂₅N₅O₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid

Density	1.45g/cm3
Molecular Formula	C₂₀H₂₅N₅O₅S
Molecular Weight	447.50800
Exact Mass	447.15800
PSA	202.52000
LogP	3.16740
Index of Refraction	1.673
InChIKey	NBJWSTOWOSNFBZ-UHFFFAOYSA-N
SMILES	Cc1[nH]c(N)nc(=S)c1CCCNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1

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