2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid

Systemtic Name: 2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid Openeye Name: 2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid CAS Name: 2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid IUPAC Name: 2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid Traditional Name: 2-[2-(6-amidino-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid Formula: C18H16N6O2 MolecularWeight: 348.35864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)NC(=N2)CCC3=NC4=C(N3)C=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)NC(=N2)CCC3=NC4=C(N3)C=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C18H16N6O2/c19-17(20)9-4-5-11-13(8-9)23-14(21-11)6-7-15-22-12-3-1-2-10(18(25)26)16(12)24-15/h1-5,8H,6-7H2,(H3,19,20)(H,21,23)(H,22,24)(H,25,26)