[(3S)-3-[5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-3-[5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: (2-methylsulfanylphenyl)-[(3S)-3-[5-(o-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]methanone CAS Name: [(3S)-3-[5-(2-methylphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [2-(methylthio)phenyl]-[(3S)-3-[5-(o-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidino]methanone Formula: C29H28N4OS MolecularWeight: 480.62382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2C3CCCN(C3)C(=O)C4=CC=CC=C4SC)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2[C@H]3CCCN(C3)C(=O)C4=CC=CC=C4SC)C5=CC=NC=C5

InChI

InChI=1S/C29H28N4OS/c1-20-8-3-4-10-23(20)25-18-31-28(21-13-15-30-16-14-21)32-27(25)22-9-7-17-33(19-22)29(34)24-11-5-6-12-26(24)35-2/h3-6,8,10-16,18,22H,7,9,17,19H2,1-2H3/t22-/m0/s1