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

Systemtic Name: 2-[(5-carbamimidoyl-3aH-benzimidazol-2-yl)methyl]-7aH-benzimidazole-5-carboximidamide Openeye Name: 2-[(5-carbamimidoyl-3aH-benzimidazol-2-yl)methyl]-7aH-benzimidazole-5-carboxamidine CAS Name: 2-[(5-carbamimidoyl-3aH-benzimidazol-2-yl)methyl]-7aH-benzimidazole-5-carboximidamide IUPAC Name: 2-[(5-carbamimidoyl-3aH-benzimidazol-2-yl)methyl]-7aH-benzimidazole-5-carboximidamide Traditional Name: 2-[(5-amidino-3aH-benzimidazol-2-yl)methyl]-7aH-benzimidazole-5-carboxamidine Formula: C17H16N8 MolecularWeight: 332.36254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=NC(=NC21)CC3=NC4C=C(C=CC4=N3)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC2=NC(=NC21)CC3=NC4C=C(C=CC4=N3)C(=N)N)C(=N)N

InChI

InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6,10,13H,7H2,(H3,18,19)(H3,20,21)