9,10-diaminocarbonyl-3-[N'-(2-aminophenyl)carbamimidoyl]-4-carbamimidoyl-perylene-1-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-3-[N'-(2-aminophenyl)carbamimidoyl]-4-carbamimidoyl-perylene-1-carboxylic acid Openeye Name: 3-[N'-(2-aminophenyl)carbamimidoyl]-4-carbamimidoyl-9,10-dicarbamoyl-perylene-1-carboxylic acid CAS Name: 3-[amino-(2-aminophenyl)iminomethyl]-4-carbamimidoyl-9,10-dicarbamoyl-1-perylenecarboxylic acid IUPAC Name: 3-[N'-(2-aminophenyl)carbamimidoyl]-4-carbamimidoyl-9,10-dicarbamoylperylene-1-carboxylic acid Traditional Name: 4-amidino-3-[N'-(2-aminophenyl)amidino]-9,10-dicarbamoyl-perylene-1-carboxylic acid Formula: C31H23N7O4 MolecularWeight: 557.55882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)N=C(C2=CC(=C3C4=CC=C(C5=C(C=CC(=C45)C6=C3C2=C(C=C6)C(=N)N)C(=O)N)C(=O)N)C(=O)O)N

Isomeric SMILES

C1=CC=C(C(=C1)N)N=C(C2=CC(=C3C4=CC=C(C5=C(C=CC(=C45)C6=C3C2=C(C=C6)C(=N)N)C(=O)N)C(=O)N)C(=O)O)N

InChI

InChI=1S/C31H23N7O4/c32-20-3-1-2-4-21(20)38-28(35)18-11-19(31(41)42)23-14-7-10-17(30(37)40)25-16(29(36)39)9-6-12(22(14)25)13-5-8-15(27(33)34)24(18)26(13)23/h1-11H,32H2,(H3,33,34)(H2,35,38)(H2,36,39)(H2,37,40)(H,41,42)