2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C14H12N6O3S MolecularWeight: 344.34848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C14H12N6O3S/c1-8-3-2-4-10(20(22)23)12(8)18-11(21)7-24-14-17-6-9(5-15)13(16)19-14/h2-4,6H,7H2,1H3,(H,18,21)(H2,16,17,19)