1-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]methyl]-2-methyl-imidazole-4-carboxylic acid

Systemtic Name: 1-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]methyl]-2-methyl-imidazole-4-carboxylic acid Openeye Name: 1-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]methyl]-2-methyl-imidazole-4-carboxylic acid CAS Name: 1-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]methyl]-2-methyl-4-imidazolecarboxylic acid IUPAC Name: 1-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]methyl]-2-methylimidazole-4-carboxylic acid Traditional Name: 1-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]methyl]-2-methyl-imidazole-4-carboxylic acid Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C)C(=O)O

Isomeric SMILES

CC1=NC(=CN1CC2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C)C(=O)O

InChI

InChI=1S/C22H23N7O2/c1-13-26-18(22(30)31)12-29(13)11-14-3-8-19-17(9-14)27-20(28(19)2)10-25-16-6-4-15(5-7-16)21(23)24/h3-9,12,25H,10-11H2,1-2H3,(H3,23,24)(H,30,31)