4-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine

Systemtic Name: 4-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine Openeye Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-piperidyl]-5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidine CAS Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-piperidinyl]-5-methyl-2-(2-pyridinylmethylthio)pyrimidine IUPAC Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine Traditional Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-piperidyl]-5-methyl-2-(2-pyridylmethylthio)pyrimidine Formula: C24H25ClN4O2S MolecularWeight: 468.9989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)CC3=CC4=C(C=C3Cl)OCO4)SCC5=CC=CC=N5

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)CC3=CC4=C(C=C3Cl)OCO4)SCC5=CC=CC=N5

InChI

InChI=1S/C24H25ClN4O2S/c1-16-11-27-24(32-14-19-6-2-3-7-26-19)28-23(16)17-5-4-8-29(12-17)13-18-9-21-22(10-20(18)25)31-15-30-21/h2-3,6-7,9-11,17H,4-5,8,12-15H2,1H3