5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 2-(benzylthio)-3,6-dimethyl-5-p-anisyl-pyrimidin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC2=CC=CC=C2)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC2=CC=CC=C2)C)CC3=CC=C(C=C3)OC

InChI

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