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

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanyl-5-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-4-hydroxy-5-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-5-benzyl-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)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

InChI

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