5-ethanoyl-6-methyl-4-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-1H-pyrimidin-2-one

Systemtic Name: 5-ethanoyl-6-methyl-4-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-1H-pyrimidin-2-one Openeye Name: 5-acetyl-6-methyl-4-(4-oxo-4-phenyl-butyl)sulfanyl-1H-pyrimidin-2-one CAS Name: 5-acetyl-6-methyl-4-[(4-oxo-4-phenylbutyl)thio]-1H-pyrimidin-2-one IUPAC Name: 5-acetyl-6-methyl-4-(4-oxo-4-phenylbutyl)sulfanyl-1H-pyrimidin-2-one Traditional Name: 5-acetyl-4-[(4-keto-4-phenyl-butyl)thio]-6-methyl-1H-pyrimidin-2-one Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCCCC(=O)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCCCC(=O)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C17H18N2O3S/c1-11-15(12(2)20)16(19-17(22)18-11)23-10-6-9-14(21)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,18,19,22)