(2E)-2-[3-(4-carbamimidoylphenyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboximidamide

Systemtic Name: (2E)-2-[3-(4-carbamimidoylphenyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboximidamide Openeye Name: (2E)-2-[3-(4-carbamimidoylphenyl)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboxamidine CAS Name: (2E)-2-[3-(4-carbamimidoylphenyl)-6-oxo-1-cyclohexa-2,4-dienylidene]-1,3-dihydrobenzimidazole-5-carboximidamide IUPAC Name: (2E)-2-[3-(4-carbamimidoylphenyl)-6-oxocyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboximidamide Traditional Name: (2E)-2-[3-(4-amidinophenyl)-6-keto-cyclohexa-2,4-dien-1-ylidene]-1,3-dihydrobenzimidazole-5-carboxamidine Formula: C21H18N6O MolecularWeight: 370.40722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C3NC4=C(N3)C=C(C=C4)C(=N)N)C(=O)C=C2)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C/C(=C\3/NC4=C(N3)C=C(C=C4)C(=N)N)/C(=O)C=C2)C(=N)N

InChI

InChI=1S/C21H18N6O/c22-19(23)12-3-1-11(2-4-12)13-6-8-18(28)15(9-13)21-26-16-7-5-14(20(24)25)10-17(16)27-21/h1-10,26-27H,(H3,22,23)(H3,24,25)/b21-15+