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

Systemtic Name: 5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[(2-methoxy-5-methyl-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-[(2-methoxy-5-methylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(2-methoxy-5-methyl-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O2S/c1-14-9-10-19(25-3)17(11-14)12-18-15(2)22-21(23-20(18)24)26-13-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,22,23,24)