5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[(3,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(3,4-dimethylphenyl)methyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-[(3,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(3,4-dimethylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2OS/c1-14-9-10-18(11-15(14)2)12-19-16(3)22-21(23-20(19)24)25-13-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3,(H,22,23,24)