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

Systemtic Name: 4-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine Openeye Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-piperidyl]-5-methyl-2-(tetrahydrofuran-2-ylmethylsulfanyl)pyrimidine CAS Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-piperidinyl]-5-methyl-2-(2-oxolanylmethylthio)pyrimidine IUPAC Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine Traditional Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-piperidyl]-5-methyl-2-(tetrahydrofurfurylthio)pyrimidine Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)CC3=CC4=C(C=C3Cl)OCO4)SCC5CCCO5

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)CC3=CC4=C(C=C3Cl)OCO4)SCC5CCCO5

InChI

InChI=1S/C23H28ClN3O3S/c1-15-10-25-23(31-13-18-5-3-7-28-18)26-22(15)16-4-2-6-27(11-16)12-17-8-20-21(9-19(17)24)30-14-29-20/h8-10,16,18H,2-7,11-14H2,1H3