5-[(5-ethanoyl-2-methoxy-phenyl)methyl]-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(5-ethanoyl-2-methoxy-phenyl)methyl]-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 5-[(5-acetyl-2-methoxy-phenyl)methyl]-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[(5-acetyl-2-methoxyphenyl)methyl]-4-hydroxy-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(5-acetyl-2-methoxyphenyl)methyl]-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-(5-acetyl-2-methoxy-benzyl)-2-(benzylthio)-4-hydroxy-1H-pyrimidin-6-one Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O

InChI

InChI=1S/C21H20N2O4S/c1-13(24)15-8-9-18(27-2)16(10-15)11-17-19(25)22-21(23-20(17)26)28-12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,22,23,25,26)