2-[(5-carbamimidoyl-3aH-benzimidazol-2-yl)-bis(oxidanyl)methyl]-7aH-benzimidazole-5-carboximidamide

Systemtic Name: 2-[(5-carbamimidoyl-3aH-benzimidazol-2-yl)-bis(oxidanyl)methyl]-7aH-benzimidazole-5-carboximidamide Openeye Name: 2-[(5-carbamimidoyl-3aH-benzimidazol-2-yl)-dihydroxy-methyl]-7aH-benzimidazole-5-carboxamidine CAS Name: 2-[(5-carbamimidoyl-3aH-benzimidazol-2-yl)-dihydroxymethyl]-7aH-benzimidazole-5-carboximidamide IUPAC Name: 2-[(5-carbamimidoyl-3aH-benzimidazol-2-yl)-dihydroxymethyl]-7aH-benzimidazole-5-carboximidamide Traditional Name: 2-[(5-amidino-3aH-benzimidazol-2-yl)-dihydroxy-methyl]-7aH-benzimidazole-5-carboxamidine Formula: C17H16N8O2 MolecularWeight: 364.36134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=NC(=NC21)C(C3=NC4C=C(C=CC4=N3)C(=N)N)(O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC2=NC(=NC21)C(C3=NC4C=C(C=CC4=N3)C(=N)N)(O)O)C(=N)N

InChI

InChI=1S/C17H16N8O2/c18-13(19)7-1-3-9-11(5-7)24-15(22-9)17(26,27)16-23-10-4-2-8(14(20)21)6-12(10)25-16/h1-6,9,12,26-27H,(H3,18,19)(H3,20,21)