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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(tetrahydrofuran-2-ylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(2-oxolanylmethylthio)-4-pyrimidinyl]-1-piperidinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(tetrahydrofurfurylthio)pyrimidin-4-yl]piperidino]ethanone Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4)SCC5CCCO5

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4)SCC5CCCO5

InChI

InChI=1S/C24H29N3O4S/c1-16-12-25-24(32-14-19-5-3-9-29-19)26-23(16)18-4-2-8-27(13-18)22(28)11-17-6-7-20-21(10-17)31-15-30-20/h6-7,10,12,18-19H,2-5,8-9,11,13-15H2,1H3