N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(6-methoxy-1H-indol-3-yl)ethyl]carbamimidoyl]-2-[4-(diphenylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(6-methoxy-1H-indol-3-yl)ethyl]carbamimidoyl]-2-[4-(diphenylmethyl)piperazin-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(6-methoxy-1H-indol-3-yl)ethyl]carbamimidoyl]acetamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-[2-(6-methoxy-1H-indol-3-yl)ethylimino]methyl]-2-[4-(diphenylmethyl)-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(6-methoxy-1H-indol-3-yl)ethyl]carbamimidoyl]acetamide Traditional Name: 2-(4-benzhydrylpiperazino)-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(6-methoxy-1H-indol-3-yl)ethyl]amidino]acetamide Formula: C37H42N8O2 MolecularWeight: 630.78178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=CC(=C3)OC)NC(=O)CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=CC(=C3)OC)NC(=O)CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C37H42N8O2/c1-26-22-27(2)41-37(40-26)43-36(38-17-16-30-24-39-33-23-31(47-3)14-15-32(30)33)42-34(46)25-44-18-20-45(21-19-44)35(28-10-6-4-7-11-28)29-12-8-5-9-13-29/h4-15,22-24,35,39H,16-21,25H2,1-3H3,(H2,38,40,41,42,43,46)