9,10-diaminocarbonyl-3,4-dicarbamimidoyl-perylene-1-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-3,4-dicarbamimidoyl-perylene-1-carboxylic acid Openeye Name: 3,4-dicarbamimidoyl-9,10-dicarbamoyl-perylene-1-carboxylic acid CAS Name: 3,4-dicarbamimidoyl-9,10-dicarbamoyl-1-perylenecarboxylic acid IUPAC Name: 3,4-dicarbamimidoyl-9,10-dicarbamoylperylene-1-carboxylic acid Traditional Name: 3,4-diamidino-9,10-dicarbamoyl-perylene-1-carboxylic acid Formula: C25H18N6O4 MolecularWeight: 466.44822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC(=C3C2=C1C4=C5C3=CC=C(C5=C(C=C4)C(=O)N)C(=O)N)C(=O)O)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=C2C(=CC(=C3C2=C1C4=C5C3=CC=C(C5=C(C=C4)C(=O)N)C(=O)N)C(=O)O)C(=N)N)C(=N)N

InChI

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