2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-methylphenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(p-tolyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2-cyanoethyl)-N-(p-tolyl)acetamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c1-11-3-5-12(6-4-11)21(8-2-7-17)15(23)10-24-16-19-13(18)9-14(22)20-16/h3-6,9H,2,8,10H2,1H3,(H3,18,19,20,22)