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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)butanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)butanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(1-phenylethyl)butanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)butanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(1-phenylethyl)butyramide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C)C1=CC=CC=C1)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CCC(C(=O)NC(C)C1=CC=CC=C1)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C16H20N4O2S/c1-3-12(23-16-19-13(17)9-14(21)20-16)15(22)18-10(2)11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3,(H,18,22)(H3,17,19,20,21)