[(3S)-3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: [(3S)-3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-(4-phenylphenyl)methanone Openeye Name: [(3S)-3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-(4-phenylphenyl)methanone CAS Name: [(3S)-3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-(4-phenylphenyl)methanone IUPAC Name: [(3S)-3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-(4-phenylphenyl)methanone Traditional Name: [(3S)-3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidino]-(4-phenylphenyl)methanone Formula: C29H28N4OS MolecularWeight: 480.62382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)SCC5=CN=CC=C5

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)SCC5=CN=CC=C5

InChI

InChI=1S/C29H28N4OS/c1-21-17-31-29(35-20-22-7-5-15-30-18-22)32-27(21)26-10-6-16-33(19-26)28(34)25-13-11-24(12-14-25)23-8-3-2-4-9-23/h2-5,7-9,11-15,17-18,26H,6,10,16,19-20H2,1H3/t26-/m0/s1