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

Systemtic Name: [(3S)-3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-phenyl-methanone Openeye Name: [(3S)-3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-phenyl-methanone CAS Name: [(3S)-3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-phenylmethanone IUPAC Name: [(3S)-3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone Traditional Name: [(3S)-3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidino]-phenyl-methanone Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC=CC=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC=CC=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H24N4OS/c1-17-13-25-23(29-16-18-7-5-11-24-14-18)26-21(17)20-10-6-12-27(15-20)22(28)19-8-3-2-4-9-19/h2-5,7-9,11,13-14,20H,6,10,12,15-16H2,1H3/t20-/m0/s1