9,10-diaminocarbonyl-4-carbamimidoyl-3-(N,N-dimethylcarbamimidoyl)perylene-1-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-4-carbamimidoyl-3-(N,N-dimethylcarbamimidoyl)perylene-1-carboxylic acid Openeye Name: 4-carbamimidoyl-9,10-dicarbamoyl-3-(N,N-dimethylcarbamimidoyl)perylene-1-carboxylic acid CAS Name: 4-carbamimidoyl-9,10-dicarbamoyl-3-[dimethylamino(imino)methyl]-1-perylenecarboxylic acid IUPAC Name: 4-carbamimidoyl-9,10-dicarbamoyl-3-(N,N-dimethylcarbamimidoyl)perylene-1-carboxylic acid Traditional Name: 4-amidino-9,10-dicarbamoyl-3-(N,N-dimethylamidino)perylene-1-carboxylic acid Formula: C27H22N6O4 MolecularWeight: 494.50138

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=N)C1=CC(=C2C3=CC=C(C4=C(C=CC(=C34)C5=C2C1=C(C=C5)C(=N)N)C(=O)N)C(=O)N)C(=O)O

Isomeric SMILES

CN(C)C(=N)C1=CC(=C2C3=CC=C(C4=C(C=CC(=C34)C5=C2C1=C(C=C5)C(=N)N)C(=O)N)C(=O)N)C(=O)O

InChI

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