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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidino]propan-1-one Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CCC3=CC4=C(C=C3)OCO4)SCC5=CN=CC=C5

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CCC3=CC4=C(C=C3)OCO4)SCC5=CN=CC=C5

InChI

InChI=1S/C26H28N4O3S/c1-18-13-28-26(34-16-20-4-2-10-27-14-20)29-25(18)21-5-3-11-30(15-21)24(31)9-7-19-6-8-22-23(12-19)33-17-32-22/h2,4,6,8,10,12-14,21H,3,5,7,9,11,15-17H2,1H3