2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[(2,3-dimethylanilino)-oxomethyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[(2,3-dimethylphenyl)carbamoyl]acetamide Formula: C16H16N6O2S MolecularWeight: 356.40224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC(=O)CSC2=NC=C(C(=N2)N)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC(=O)CSC2=NC=C(C(=N2)N)C#N)C

InChI

InChI=1S/C16H16N6O2S/c1-9-4-3-5-12(10(9)2)20-15(24)21-13(23)8-25-16-19-7-11(6-17)14(18)22-16/h3-5,7H,8H2,1-2H3,(H2,18,19,22)(H2,20,21,23,24)