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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(benzylcarbamoyl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(benzylcarbamoyl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(benzylcarbamoyl)propionamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C16H16N6O2S/c1-10(25-16-20-9-12(7-17)13(18)21-16)14(23)22-15(24)19-8-11-5-3-2-4-6-11/h2-6,9-10H,8H2,1H3,(H2,18,20,21)(H2,19,22,23,24)