2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)-N-(2-cyanoethyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)-N-(2-cyanoethyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)-N-(2-cyanoethyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3-chlorophenyl)-N-(2-cyanoethyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)-N-(2-cyanoethyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3-chlorophenyl)-N-(2-cyanoethyl)acetamide Formula: C15H14ClN5O2S MolecularWeight: 363.82196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN5O2S/c16-10-3-1-4-11(7-10)21(6-2-5-17)14(23)9-24-15-19-12(18)8-13(22)20-15/h1,3-4,7-8H,2,6,9H2,(H3,18,19,20,22)