ethyl 6-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carboxylate Openeye Name: ethyl 6-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carboxylate CAS Name: 6-(6-carbamimidoyl-1H-benzimidazol-2-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carboxylate Traditional Name: 6-(6-amidino-1H-benzimidazol-2-yl)nicotinic acid ethyl ester Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=N)N

InChI

InChI=1S/C16H15N5O2/c1-2-23-16(22)10-4-6-12(19-8-10)15-20-11-5-3-9(14(17)18)7-13(11)21-15/h3-8H,2H2,1H3,(H3,17,18)(H,20,21)