5-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 5-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]-2-methylsulfanyl-pyrimidine Openeye Name: 5-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]methyl]-2-methylsulfanyl-pyrimidine CAS Name: 5-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]methyl]-2-(methylthio)pyrimidine IUPAC Name: 5-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]-2-methylsulfanylpyrimidine Traditional Name: 2-(methylthio)-5-[[3-(4-piperonylpiperazino)piperidino]methyl]pyrimidine Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CSC1=NC=C(C=N1)CN2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H31N5O2S/c1-31-23-24-12-19(13-25-23)15-27-6-2-3-20(16-27)28-9-7-26(8-10-28)14-18-4-5-21-22(11-18)30-17-29-21/h4-5,11-13,20H,2-3,6-10,14-17H2,1H3