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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[(4-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-chlorophenyl)methyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-[(4-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(4-chlorobenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C19H17ClN2OS MolecularWeight: 356.86908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2OS/c1-13-17(11-14-7-9-16(20)10-8-14)18(23)22-19(21-13)24-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,21,22,23)