9,10-diaminocarbonyl-1,7-bis(bromanyl)-3,4-dicarbamimidoyl-perylene-2-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-1,7-bis(bromanyl)-3,4-dicarbamimidoyl-perylene-2-carboxylic acid Openeye Name: 1,7-dibromo-3,4-dicarbamimidoyl-9,10-dicarbamoyl-perylene-2-carboxylic acid CAS Name: 1,7-dibromo-3,4-dicarbamimidoyl-9,10-dicarbamoyl-2-perylenecarboxylic acid IUPAC Name: 1,7-dibromo-3,4-dicarbamimidoyl-9,10-dicarbamoylperylene-2-carboxylic acid Traditional Name: 3,4-diamidino-1,7-dibromo-9,10-dicarbamoyl-perylene-2-carboxylic acid Formula: C25H16Br2N6O4 MolecularWeight: 624.24034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C3=C1C4=C(C=C(C5=C(C=CC(=C45)C3=C(C(=C2C(=N)N)C(=O)O)Br)C(=O)N)C(=O)N)Br)C(=N)N

Isomeric SMILES

C1=CC(=C2C3=C1C4=C(C=C(C5=C(C=CC(=C45)C3=C(C(=C2C(=N)N)C(=O)O)Br)C(=O)N)C(=O)N)Br)C(=N)N

InChI

InChI=1S/C25H16Br2N6O4/c26-11-5-10(24(33)35)12-9(23(32)34)4-2-7-14(12)13(11)6-1-3-8(21(28)29)16-15(6)17(7)20(27)19(25(36)37)18(16)22(30)31/h1-5H,(H3,28,29)(H3,30,31)(H2,32,34)(H2,33,35)(H,36,37)