2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2-cyanophenyl)butanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2-cyanophenyl)butyramide Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C#N)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C#N)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C15H15N5O2S/c1-2-11(23-15-19-12(17)7-13(21)20-15)14(22)18-10-6-4-3-5-9(10)8-16/h3-7,11H,2H2,1H3,(H,18,22)(H3,17,19,20,21)