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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(tetrahydrofuran-2-ylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(2-oxolanylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[3-[5-methyl-2-(tetrahydrofurfurylthio)pyrimidin-4-yl]piperidino]propan-1-one Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CCC3=CC4=C(C=C3)OCO4)SCC5CCCO5

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CCC3=CC4=C(C=C3)OCO4)SCC5CCCO5

InChI

InChI=1S/C25H31N3O4S/c1-17-13-26-25(33-15-20-5-3-11-30-20)27-24(17)19-4-2-10-28(14-19)23(29)9-7-18-6-8-21-22(12-18)32-16-31-21/h6,8,12-13,19-20H,2-5,7,9-11,14-16H2,1H3