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

Systemtic Name: N-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)propanamide CAS Name: N-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-p-phenetyl-propionamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O3S/c1-3-29-19-11-9-18(10-12-19)25-21(27)14-13-20-16(2)24-23(26-22(20)28)30-15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,25,27)(H,24,26,28)