N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-(methylamino)benzamide

Systemtic Name: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-(methylamino)benzamide Openeye Name: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-(methylamino)benzamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-[2-(1H-indol-3-yl)ethylimino]methyl]-2-(methylamino)benzamide IUPAC Name: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-(methylamino)benzamide Traditional Name: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-indol-3-yl)ethyl]amidino]-2-(methylamino)benzamide Formula: C25H27N7O MolecularWeight: 441.52818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4NC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4NC)C

InChI

InChI=1S/C25H27N7O/c1-16-14-17(2)30-25(29-16)32-24(31-23(33)20-9-5-6-10-21(20)26-3)27-13-12-18-15-28-22-11-7-4-8-19(18)22/h4-11,14-15,26,28H,12-13H2,1-3H3,(H2,27,29,30,31,32,33)