2-[[3-[5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[3-[5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[3-[5-(o-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]methyl]-1,3-benzothiazole CAS Name: 2-[[3-[5-(2-methylphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidinyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[3-[5-(o-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidino]methyl]-1,3-benzothiazole Formula: C29H27N5S MolecularWeight: 477.62318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2C3CCCN(C3)CC4=NC5=CC=CC=C5S4)C6=CC=NC=C6

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2C3CCCN(C3)CC4=NC5=CC=CC=C5S4)C6=CC=NC=C6

InChI

InChI=1S/C29H27N5S/c1-20-7-2-3-9-23(20)24-17-31-29(21-12-14-30-15-13-21)33-28(24)22-8-6-16-34(18-22)19-27-32-25-10-4-5-11-26(25)35-27/h2-5,7,9-15,17,22H,6,8,16,18-19H2,1H3