methyl 4-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]amino]cyclohexanecarboxylate CAS Name: 4-[[2-(4-carbamimidoylphenyl)-3-methyl-5-imidazo[4,5-b]pyridinyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-(4-carbamimidoylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[2-(4-amidinophenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]amino]cyclohexanecarboxylic acid methyl ester Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=N2)NC3CCC(CC3)C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=CC(=N2)NC3CCC(CC3)C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C22H26N6O2/c1-28-20(14-5-3-13(4-6-14)19(23)24)26-17-11-12-18(27-21(17)28)25-16-9-7-15(8-10-16)22(29)30-2/h3-6,11-12,15-16H,7-10H2,1-2H3,(H3,23,24)(H,25,27)