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

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)butanamide Openeye Name: 2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)butanamide CAS Name: 2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-N-(1-phenylethyl)butanamide IUPAC Name: 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)butanamide Traditional Name: 2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]-N-(1-phenylethyl)butyramide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C)C1=CC=CC=C1)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC(C)C1=CC=CC=C1)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

InChI

InChI=1S/C22H24N4O2S/c1-3-18(21(28)24-15(2)16-10-6-4-7-11-16)29-22-25-20(27)14-19(23)26(22)17-12-8-5-9-13-17/h4-15,18H,3,23H2,1-2H3,(H,24,28)