2,3-diaminocarbonyl-4,5-dicarbamimidoyl-6-phenyl-benzoic acid

Systemtic Name: 2,3-diaminocarbonyl-4,5-dicarbamimidoyl-6-phenyl-benzoic acid Openeye Name: 4,5-dicarbamimidoyl-2,3-dicarbamoyl-6-phenyl-benzoic acid CAS Name: 4,5-dicarbamimidoyl-2,3-dicarbamoyl-6-phenylbenzoic acid IUPAC Name: 4,5-dicarbamimidoyl-2,3-dicarbamoyl-6-phenylbenzoic acid Traditional Name: 4,5-diamidino-2,3-dicarbamoyl-6-phenyl-benzoic acid Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C(=O)O)C(=O)N)C(=O)N)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C(=O)O)C(=O)N)C(=O)N)C(=N)N)C(=N)N

InChI

InChI=1S/C17H16N6O4/c18-13(19)8-7(6-4-2-1-3-5-6)12(17(26)27)11(16(23)25)10(15(22)24)9(8)14(20)21/h1-5H,(H3,18,19)(H3,20,21)(H2,22,24)(H2,23,25)(H,26,27)