1-[4-(4-dimethylaminophenyl)-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(4-dimethylaminophenyl)-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-5-yl]ethanone Openeye Name: 1-[2-benzylsulfanyl-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(4-dimethylaminophenyl)-6-methyl-2-(phenylmethylthio)-5-pyrimidinyl]ethanone IUPAC Name: 1-[2-benzylsulfanyl-4-(4-dimethylaminophenyl)-6-methylpyrimidin-5-yl]ethanone Traditional Name: 1-[2-(benzylthio)-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-5-yl]ethanone Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)C)C2=CC=C(C=C2)N(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)C)C2=CC=C(C=C2)N(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3OS/c1-15-20(16(2)26)21(18-10-12-19(13-11-18)25(3)4)24-22(23-15)27-14-17-8-6-5-7-9-17/h5-13H,14H2,1-4H3