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

Systemtic Name: N-[N'-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiophene-2-carboxamide Openeye Name: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiophene-2-carboxamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-2-thiophenecarboxamide IUPAC Name: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiophene-2-carboxamide Traditional Name: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)amidino]thiophene-2-carboxamide Formula: C22H21ClN6OS MolecularWeight: 452.95974

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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=CS4)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)C4=CC=CS4)C

InChI

InChI=1S/C22H21ClN6OS/c1-13-10-14(2)27-22(26-13)29-21(28-20(30)19-4-3-9-31-19)24-8-7-15-12-25-18-6-5-16(23)11-17(15)18/h3-6,9-12,25H,7-8H2,1-2H3,(H2,24,26,27,28,29,30)