4-tert-butyl-N-[N'-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[N'-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]benzamide Openeye Name: 4-tert-butyl-N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]benzamide CAS Name: 4-tert-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]benzamide Traditional Name: 4-tert-butyl-N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)amidino]benzamide Formula: C28H31ClN6O MolecularWeight: 503.03834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C28H31ClN6O/c1-17-14-18(2)33-27(32-17)35-26(34-25(36)19-6-8-21(9-7-19)28(3,4)5)30-13-12-20-16-31-24-11-10-22(29)15-23(20)24/h6-11,14-16,31H,12-13H2,1-5H3,(H2,30,32,33,34,35,36)