2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C14H12N6O3S2 MolecularWeight: 376.41348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H12N6O3S2/c1-24-12-10(6-15)13(19-14(16)18-12)25-7-11(21)17-8-2-4-9(5-3-8)20(22)23/h2-5H,7H2,1H3,(H,17,21)(H2,16,18,19)