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

Systemtic Name: N-[N'-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2,2-dimethyl-propanamide Openeye Name: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2,2-dimethyl-propanamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-2,2-dimethylpropanamide IUPAC Name: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide Traditional Name: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)amidino]-2,2-dimethyl-propionamide Formula: C22H27ClN6O MolecularWeight: 426.94238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN6O/c1-13-10-14(2)27-21(26-13)29-20(28-19(30)22(3,4)5)24-9-8-15-12-25-18-7-6-16(23)11-17(15)18/h6-7,10-12,25H,8-9H2,1-5H3,(H2,24,26,27,28,29,30)