[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl] hydrogen carbonate

Systemtic Name: [2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl] hydrogen carbonate Openeye Name: [2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl] hydrogen carbonate CAS Name: carbonic acid [2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl] ester IUPAC Name: [2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl] hydrogen carbonate Traditional Name: carbonic acid [2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl] ester Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC(=O)O)N=C1CNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC(=O)O)N=C1CNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H17N5O3/c1-22-14-7-6-12(25-17(23)24)8-13(14)21-15(22)9-20-11-4-2-10(3-5-11)16(18)19/h2-8,20H,9H2,1H3,(H3,18,19)(H,23,24)