2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)carbamoyl]propanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)carbamoyl]propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(p-tolylcarbamoyl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[(4-methylanilino)-oxomethyl]propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)carbamoyl]propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(p-tolylcarbamoyl)propionamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N

InChI

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