4,5-diaminocarbonyl-6,9-dicarbamimidoyl-perylene-3-carboxylic acid

Systemtic Name: 4,5-diaminocarbonyl-6,9-dicarbamimidoyl-perylene-3-carboxylic acid Openeye Name: 6,9-dicarbamimidoyl-4,5-dicarbamoyl-perylene-3-carboxylic acid CAS Name: 6,9-dicarbamimidoyl-4,5-dicarbamoyl-3-perylenecarboxylic acid IUPAC Name: 6,9-dicarbamimidoyl-4,5-dicarbamoylperylene-3-carboxylic acid Traditional Name: 6,9-diamidino-4,5-dicarbamoyl-perylene-3-carboxylic acid Formula: C25H18N6O4 MolecularWeight: 466.44822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=CC=C3C4=C(C(=C(C5=C(C=CC2=C54)C(=O)O)C(=O)N)C(=O)N)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC2=C3C(=C1)C(=CC=C3C4=C(C(=C(C5=C(C=CC2=C54)C(=O)O)C(=O)N)C(=O)N)C(=N)N)C(=N)N

InChI

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