[4-(2-methylphenyl)-4-oxidanyl-piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone

Systemtic Name: [4-(2-methylphenyl)-4-oxidanyl-piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone Openeye Name: [4-hydroxy-4-(o-tolyl)-1-piperidyl]-(2-methylsulfanylpyrimidin-5-yl)methanone CAS Name: [4-hydroxy-4-(2-methylphenyl)-1-piperidinyl]-[2-(methylthio)-5-pyrimidinyl]methanone IUPAC Name: [4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone Traditional Name: [4-hydroxy-4-(o-tolyl)piperidino]-[2-(methylthio)pyrimidin-5-yl]methanone Formula: C18H21N3O2S MolecularWeight: 343.44324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCN(CC2)C(=O)C3=CN=C(N=C3)SC)O

Isomeric SMILES

CC1=CC=CC=C1C2(CCN(CC2)C(=O)C3=CN=C(N=C3)SC)O

InChI

InChI=1S/C18H21N3O2S/c1-13-5-3-4-6-15(13)18(23)7-9-21(10-8-18)16(22)14-11-19-17(24-2)20-12-14/h3-6,11-12,23H,7-10H2,1-2H3