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

Systemtic Name: methyl 5-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazo[4,5-b]pyridin-1-yl]pentanoate Openeye Name: methyl 5-[3-(4-carbamimidoylphenyl)-2-oxo-imidazo[4,5-b]pyridin-1-yl]pentanoate CAS Name: 5-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazo[4,5-b]pyridinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[3-(4-carbamimidoylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]pentanoate Traditional Name: 5-[3-(4-amidinophenyl)-2-keto-imidazo[4,5-b]pyridin-1-yl]valeric acid methyl ester Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCN1C2=C(N=CC=C2)N(C1=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCCCN1C2=C(N=CC=C2)N(C1=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H21N5O3/c1-27-16(25)6-2-3-12-23-15-5-4-11-22-18(15)24(19(23)26)14-9-7-13(8-10-14)17(20)21/h4-5,7-11H,2-3,6,12H2,1H3,(H3,20,21)