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

Systemtic Name: 4-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine Openeye Name: 4-[1-[(2,4-dimethoxyphenyl)methyl]-3-piperidyl]-5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidine CAS Name: 4-[1-[(2,4-dimethoxyphenyl)methyl]-3-piperidinyl]-5-methyl-2-(2-pyridinylmethylthio)pyrimidine IUPAC Name: 4-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine Traditional Name: 4-[1-(2,4-dimethoxybenzyl)-3-piperidyl]-5-methyl-2-(2-pyridylmethylthio)pyrimidine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)CC3=C(C=C(C=C3)OC)OC)SCC4=CC=CC=N4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)CC3=C(C=C(C=C3)OC)OC)SCC4=CC=CC=N4

InChI

InChI=1S/C25H30N4O2S/c1-18-14-27-25(32-17-21-8-4-5-11-26-21)28-24(18)20-7-6-12-29(16-20)15-19-9-10-22(30-2)13-23(19)31-3/h4-5,8-11,13-14,20H,6-7,12,15-17H2,1-3H3