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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3,6-dimethyl-5-p-anisyl-pyrimidin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2S/c1-14-19(12-15-7-9-18(26-3)10-8-15)20(25)24(2)21(23-14)27-13-16-5-4-6-17(22)11-16/h4-11H,12-13H2,1-3H3