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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidino]ethanone Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4)SCC5=CN=CC=C5

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4)SCC5=CN=CC=C5

InChI

InChI=1S/C25H26N4O3S/c1-17-12-27-25(33-15-19-4-2-8-26-13-19)28-24(17)20-5-3-9-29(14-20)23(30)11-18-6-7-21-22(10-18)32-16-31-21/h2,4,6-8,10,12-13,20H,3,5,9,11,14-16H2,1H3