2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)butanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)butanamide Openeye Name: 2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)butanamide CAS Name: 2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-N-(2-cyanophenyl)butanamide IUPAC Name: 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)butanamide Traditional Name: 2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]-N-(2-cyanophenyl)butyramide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C#N)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C#N)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

InChI

InChI=1S/C21H19N5O2S/c1-2-17(20(28)24-16-11-7-6-8-14(16)13-22)29-21-25-19(27)12-18(23)26(21)15-9-4-3-5-10-15/h3-12,17H,2,23H2,1H3,(H,24,28)