4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]-5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine

Systemtic Name: 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]-5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine Openeye Name: 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-piperidyl]-5-methyl-2-(tetrahydrofuran-2-ylmethylsulfanyl)pyrimidine CAS Name: 4-[1-[[1-(2-methoxyphenyl)-4-pyrazolyl]methyl]-3-piperidinyl]-5-methyl-2-(2-oxolanylmethylthio)pyrimidine IUPAC Name: 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]-5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine Traditional Name: 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-piperidyl]-5-methyl-2-(tetrahydrofurfurylthio)pyrimidine Formula: C26H33N5O2S MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)CC3=CN(N=C3)C4=CC=CC=C4OC)SCC5CCCO5

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)CC3=CN(N=C3)C4=CC=CC=C4OC)SCC5CCCO5

InChI

InChI=1S/C26H33N5O2S/c1-19-13-27-26(34-18-22-8-6-12-33-22)29-25(19)21-7-5-11-30(17-21)15-20-14-28-31(16-20)23-9-3-4-10-24(23)32-2/h3-4,9-10,13-14,16,21-22H,5-8,11-12,15,17-18H2,1-2H3