N-(2-ethyl-6-methyl-phenyl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: N-(2-ethyl-6-methylphenyl)-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C)C

InChI

InChI=1S/C24H27N3O2S/c1-4-19-12-8-9-16(2)22(19)26-21(28)14-13-20-17(3)25-24(27-23(20)29)30-15-18-10-6-5-7-11-18/h5-12H,4,13-15H2,1-3H3,(H,26,28)(H,25,27,29)