methyl 2-[4-[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]piperazin-1-yl]acetate CAS Name: 2-[4-[2-(4-carbamimidoylphenyl)-3-methyl-5-imidazo[4,5-b]pyridinyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(4-carbamimidoylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]piperazin-1-yl]acetate Traditional Name: 2-[4-[2-(4-amidinophenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]piperazino]acetic acid methyl ester Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=N2)N3CCN(CC3)CC(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=CC(=N2)N3CCN(CC3)CC(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C21H25N7O2/c1-26-20(15-5-3-14(4-6-15)19(22)23)24-16-7-8-17(25-21(16)26)28-11-9-27(10-12-28)13-18(29)30-2/h3-8H,9-13H2,1-2H3,(H3,22,23)