5,5-diaminocarbonyl-6,6-dicarbamimidoyl-2-phenyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5,5-diaminocarbonyl-6,6-dicarbamimidoyl-2-phenyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6,6-dicarbamimidoyl-5,5-dicarbamoyl-2-phenyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6,6-dicarbamimidoyl-5,5-dicarbamoyl-2-phenyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6,6-dicarbamimidoyl-5,5-dicarbamoyl-2-phenylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6,6-diamidino-5,5-dicarbamoyl-2-phenyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C17H18N6O4 MolecularWeight: 370.36262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(C(C=C2)(C(=O)N)C(=O)N)(C(=N)N)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(C(C=C2)(C(=O)N)C(=O)N)(C(=N)N)C(=N)N)C(=O)O

InChI

InChI=1S/C17H18N6O4/c18-12(19)17(13(20)21)10(11(24)25)9(8-4-2-1-3-5-8)6-7-16(17,14(22)26)15(23)27/h1-7H,(H3,18,19)(H3,20,21)(H2,22,26)(H2,23,27)(H,24,25)