3,4-diaminocarbonyl-5,6-dicarbamimidoyl-perylene-2-carboxylic acid

Systemtic Name: 3,4-diaminocarbonyl-5,6-dicarbamimidoyl-perylene-2-carboxylic acid Openeye Name: 5,6-dicarbamimidoyl-3,4-dicarbamoyl-perylene-2-carboxylic acid CAS Name: 5,6-dicarbamimidoyl-3,4-dicarbamoyl-2-perylenecarboxylic acid IUPAC Name: 5,6-dicarbamimidoyl-3,4-dicarbamoylperylene-2-carboxylic acid Traditional Name: 5,6-diamidino-3,4-dicarbamoyl-perylene-2-carboxylic acid Formula: C25H18N6O4 MolecularWeight: 466.44822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=CC(=C(C5=C(C(=C(C(=C45)C3=CC=C2)C(=N)N)C(=N)N)C(=O)N)C(=O)N)C(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C4=CC(=C(C5=C(C(=C(C(=C45)C3=CC=C2)C(=N)N)C(=N)N)C(=O)N)C(=O)N)C(=O)O

InChI

InChI=1S/C25H18N6O4/c26-21(27)18-14-10-6-2-4-8-3-1-5-9(13(8)10)11-7-12(25(34)35)16(23(30)32)17(15(11)14)20(24(31)33)19(18)22(28)29/h1-7H,(H3,26,27)(H3,28,29)(H2,30,32)(H2,31,33)(H,34,35)