ethyl 2-[(2-aminophenyl)amino]-6-azanyl-5-(1H-benzimidazol-2-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(2-aminophenyl)amino]-6-azanyl-5-(1H-benzimidazol-2-yl)pyridine-3-carboxylate Openeye Name: ethyl 6-amino-2-(2-aminoanilino)-5-(1H-benzimidazol-2-yl)pyridine-3-carboxylate CAS Name: 6-amino-2-(2-aminoanilino)-5-(1H-benzimidazol-2-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-(2-aminoanilino)-5-(1H-benzimidazol-2-yl)pyridine-3-carboxylate Traditional Name: 6-amino-2-(2-aminoanilino)-5-(1H-benzimidazol-2-yl)nicotinic acid ethyl ester Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C2=NC3=CC=CC=C3N2)N)NC4=CC=CC=C4N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C2=NC3=CC=CC=C3N2)N)NC4=CC=CC=C4N

InChI

InChI=1S/C21H20N6O2/c1-2-29-21(28)13-11-12(19-25-16-9-5-6-10-17(16)26-19)18(23)27-20(13)24-15-8-4-3-7-14(15)22/h3-11H,2,22H2,1H3,(H,25,26)(H3,23,24,27)