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

Systemtic Name: 1-[3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[3-[5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-2-phenoxy-ethanone CAS Name: 1-[3-[5-methyl-2-(2-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-2-phenoxyethanone IUPAC Name: 1-[3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone Traditional Name: 1-[3-[5-methyl-2-(2-pyridylmethylthio)pyrimidin-4-yl]piperidino]-2-phenoxy-ethanone Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)COC3=CC=CC=C3)SCC4=CC=CC=N4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)COC3=CC=CC=C3)SCC4=CC=CC=N4

InChI

InChI=1S/C24H26N4O2S/c1-18-14-26-24(31-17-20-9-5-6-12-25-20)27-23(18)19-8-7-13-28(15-19)22(29)16-30-21-10-3-2-4-11-21/h2-6,9-12,14,19H,7-8,13,15-17H2,1H3