2-[[3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]-1-piperidyl]methyl]-1H-benzimidazole CAS Name: 2-[[3-[2-(2-methoxyethylthio)-5-(3-methoxyphenyl)-4-pyrimidinyl]-1-piperidinyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[3-[2-(2-methoxyethylthio)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidino]methyl]-1H-benzimidazole Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC=C(C(=N1)C2CCCN(C2)CC3=NC4=CC=CC=C4N3)C5=CC(=CC=C5)OC

Isomeric SMILES

COCCSC1=NC=C(C(=N1)C2CCCN(C2)CC3=NC4=CC=CC=C4N3)C5=CC(=CC=C5)OC

InChI

InChI=1S/C27H31N5O2S/c1-33-13-14-35-27-28-16-22(19-7-5-9-21(15-19)34-2)26(31-27)20-8-6-12-32(17-20)18-25-29-23-10-3-4-11-24(23)30-25/h3-5,7,9-11,15-16,20H,6,8,12-14,17-18H2,1-2H3,(H,29,30)