Benzoic acid,4-[[4-[(2,6-diamino-5-nitro-4-pyrimidinyl)amino]-3-oxobutyl]thio]-, methylester

Modify Date: 2024-01-18 18:48:22

Benzoic acid,4-[[4-[(2,6-diamino-5-nitro-4-pyrimidinyl)amino]-3-oxobutyl]thio]-, methylester Structure
Benzoic acid,4-[[4-[(2,6-diamino-5-nitro-4-pyrimidinyl)amino]-3-oxobutyl]thio]-, methylester structure
Common Name Benzoic acid,4-[[4-[(2,6-diamino-5-nitro-4-pyrimidinyl)amino]-3-oxobutyl]thio]-, methylester
CAS Number 74163-02-3 Molecular Weight 406.41600
Density 1.48g/cm3 Boiling Point 754.1ºC at 760mmHg
Molecular Formula C16H18N6O5S Melting Point N/A
MSDS N/A Flash Point 409.9ºC

 Names

Name methyl 4-[4-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-3-oxobutyl]sulfanylbenzoate

 Chemical & Physical Properties

Density 1.48g/cm3
Boiling Point 754.1ºC at 760mmHg
Molecular Formula C16H18N6O5S
Molecular Weight 406.41600
Flash Point 409.9ºC
Exact Mass 406.10600
PSA 204.34000
LogP 3.25780
Index of Refraction 1.668

 Synthetic Route

~92%

Benzoic acid,4-[[4-[(2,6-diamino-5-nitro-4-pyrimidinyl)amino]-3-oxobutyl]thio]-, methylester Structure

Benzoic acid,4-...

CAS#:74163-02-3

Literature: Nair; Chen Journal of Medicinal Chemistry, 1980 , vol. 23, # 8 p. 899 - 903

~%

Benzoic acid,4-[[4-[(2,6-diamino-5-nitro-4-pyrimidinyl)amino]-3-oxobutyl]thio]-, methylester Structure

Benzoic acid,4-...

CAS#:74163-02-3

Literature: Nair; Chen Journal of Medicinal Chemistry, 1980 , vol. 23, # 8 p. 899 - 903

~%

Benzoic acid,4-[[4-[(2,6-diamino-5-nitro-4-pyrimidinyl)amino]-3-oxobutyl]thio]-, methylester Structure

Benzoic acid,4-...

CAS#:74163-02-3

Literature: Nair; Chen Journal of Medicinal Chemistry, 1980 , vol. 23, # 8 p. 899 - 903

~%

Benzoic acid,4-[[4-[(2,6-diamino-5-nitro-4-pyrimidinyl)amino]-3-oxobutyl]thio]-, methylester Structure

Benzoic acid,4-...

CAS#:74163-02-3

Literature: Nair; Chen Journal of Medicinal Chemistry, 1980 , vol. 23, # 8 p. 899 - 903

~%

Benzoic acid,4-[[4-[(2,6-diamino-5-nitro-4-pyrimidinyl)amino]-3-oxobutyl]thio]-, methylester Structure

Benzoic acid,4-...

CAS#:74163-02-3

Literature: Nair; Chen Journal of Medicinal Chemistry, 1980 , vol. 23, # 8 p. 899 - 903
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