N-[5-[[4-[5-(3-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanamide

Systemtic Name: N-[5-[[4-[5-(3-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanamide Openeye Name: N-[5-[[4-[5-(m-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]methyl]-2-thienyl]acetamide CAS Name: N-[5-[[4-[5-(3-methylphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidinyl]methyl]-2-thiophenyl]acetamide IUPAC Name: N-[5-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide Traditional Name: N-[5-[[4-[5-(m-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidino]methyl]-2-thienyl]acetamide Formula: C28H29N5OS MolecularWeight: 483.62776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCN(CC3)CC4=CC=C(S4)NC(=O)C)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCN(CC3)CC4=CC=C(S4)NC(=O)C)C5=CC=NC=C5

InChI

InChI=1S/C28H29N5OS/c1-19-4-3-5-23(16-19)25-17-30-28(22-8-12-29-13-9-22)32-27(25)21-10-14-33(15-11-21)18-24-6-7-26(35-24)31-20(2)34/h3-9,12-13,16-17,21H,10-11,14-15,18H2,1-2H3,(H,31,34)