2-[(4-methoxyphenyl)methylsulfanyl]-3,6-dimethyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-3,6-dimethyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[(4-methoxyphenyl)methylsulfanyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[(4-methoxyphenyl)methylthio]-3,6-dimethyl-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[(4-methoxyphenyl)methylsulfanyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 5-benzyl-3,6-dimethyl-2-(p-anisylthio)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=C(C=C2)OC)C)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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