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

Systemtic Name: 2-(3-methoxyphenyl)-1-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone Openeye Name: 2-(3-methoxyphenyl)-1-[(3S)-3-[5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 2-(3-methoxyphenyl)-1-[(3S)-3-[5-methyl-2-(2-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]ethanone IUPAC Name: 2-(3-methoxyphenyl)-1-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone Traditional Name: 2-(3-methoxyphenyl)-1-[(3S)-3-[5-methyl-2-(2-pyridylmethylthio)pyrimidin-4-yl]piperidino]ethanone Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CC3=CC(=CC=C3)OC)SCC4=CC=CC=N4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)CC3=CC(=CC=C3)OC)SCC4=CC=CC=N4

InChI

InChI=1S/C25H28N4O2S/c1-18-15-27-25(32-17-21-9-3-4-11-26-21)28-24(18)20-8-6-12-29(16-20)23(30)14-19-7-5-10-22(13-19)31-2/h3-5,7,9-11,13,15,20H,6,8,12,14,16-17H2,1-2H3/t20-/m0/s1