[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: (2-methylsulfanylphenyl)-[1-[[2-(m-tolyl)pyrimidin-5-yl]methyl]-3-piperidyl]methanone CAS Name: [1-[[2-(3-methylphenyl)-5-pyrimidinyl]methyl]-3-piperidinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [2-(methylthio)phenyl]-[1-[[2-(m-tolyl)pyrimidin-5-yl]methyl]-3-piperidyl]methanone Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=C(C=N2)CN3CCCC(C3)C(=O)C4=CC=CC=C4SC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=C(C=N2)CN3CCCC(C3)C(=O)C4=CC=CC=C4SC

InChI

InChI=1S/C25H27N3OS/c1-18-7-5-8-20(13-18)25-26-14-19(15-27-25)16-28-12-6-9-21(17-28)24(29)22-10-3-4-11-23(22)30-2/h3-5,7-8,10-11,13-15,21H,6,9,12,16-17H2,1-2H3