9,10-diaminocarbonyl-3,4-bis(N'-methylcarbamimidoyl)perylene-1-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-3,4-bis(N'-methylcarbamimidoyl)perylene-1-carboxylic acid Openeye Name: 9,10-dicarbamoyl-3,4-bis(N'-methylcarbamimidoyl)perylene-1-carboxylic acid CAS Name: 3,4-bis[amino(methylimino)methyl]-9,10-dicarbamoyl-1-perylenecarboxylic acid IUPAC Name: 9,10-dicarbamoyl-3,4-bis(N'-methylcarbamimidoyl)perylene-1-carboxylic acid Traditional Name: 9,10-dicarbamoyl-3,4-bis(N'-methylamidino)perylene-1-carboxylic acid Formula: C27H22N6O4 MolecularWeight: 494.50138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N6O4/c1-32-23(28)13-6-3-11-10-4-7-14(25(30)34)21-15(26(31)35)8-5-12(18(10)21)19-17(27(36)37)9-16(24(29)33-2)20(13)22(11)19/h3-9H,1-2H3,(H2,28,32)(H2,29,33)(H2,30,34)(H2,31,35)(H,36,37)