AC1NS9DD structure

AC1NS9DD

2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide

Also Known As: 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide|A4086/0174179|2-[[6-Amino-1,4-dihydro-4-oxo-1-(2-phenylethyl)-2-pyrimidinyl]thio]-N-(2-cyanophenyl)acetamide|2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide|2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide|2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]thio}-N-(2-cyanophenyl)acetamide

CAS: 893769-01-2
Molecular Formula C21H19N5O2S
Molecular Weight 405.12595 g/mol
LogP 2.67068
Topological Polar Surface Area 113.8 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 405.12595
Monoisotopic Mass 405.12595
Heavy Atoms 29
Complexity 1106.0446

Chemical Identifiers

CAS Number 893769-01-2
SMILES C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=C3C#N)N

Product Overview

AC1NS9DD (CAS 893769-01-2), with molecular formula C21H19N5O2S and molecular weight 405.12595 g/mol. IUPAC: 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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