2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazole-4-carboxylic acid

Systemtic Name: 2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazole-4-carboxylic acid Openeye Name: 2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazole-4-carboxylic acid CAS Name: 2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-benzimidazolecarboxylic acid IUPAC Name: 2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-3-methylbenzimidazole-4-carboxylic acid Traditional Name: 2-[2-(6-amidino-1H-benzimidazol-2-yl)ethyl]-3-methyl-benzimidazole-4-carboxylic acid Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC(=C21)C(=O)O)CCC3=NC4=C(N3)C=C(C=C4)C(=N)N

Isomeric SMILES

CN1C(=NC2=CC=CC(=C21)C(=O)O)CCC3=NC4=C(N3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C19H18N6O2/c1-25-16(24-13-4-2-3-11(17(13)25)19(26)27)8-7-15-22-12-6-5-10(18(20)21)9-14(12)23-15/h2-6,9H,7-8H2,1H3,(H3,20,21)(H,22,23)(H,26,27)