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

Systemtic Name: 9,10-diaminocarbonyl-3,4-bis[N'-(3-aminophenyl)carbamimidoyl]perylene-1-carboxylic acid Openeye Name: 3,4-bis[N'-(3-aminophenyl)carbamimidoyl]-9,10-dicarbamoyl-perylene-1-carboxylic acid CAS Name: 3,4-bis[amino-(3-aminophenyl)iminomethyl]-9,10-dicarbamoyl-1-perylenecarboxylic acid IUPAC Name: 3,4-bis[N'-(3-aminophenyl)carbamimidoyl]-9,10-dicarbamoylperylene-1-carboxylic acid Traditional Name: 3,4-bis[N'-(3-aminophenyl)amidino]-9,10-dicarbamoyl-perylene-1-carboxylic acid Formula: C37H28N8O4 MolecularWeight: 648.66942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)N=C(C2=C3C(=CC(=C4C3=C(C=C2)C5=C6C4=CC=C(C6=C(C=C5)C(=O)N)C(=O)N)C(=O)O)C(=NC7=CC(=CC=C7)N)N)N

Isomeric SMILES

C1=CC(=CC(=C1)N)N=C(C2=C3C(=CC(=C4C3=C(C=C2)C5=C6C4=CC=C(C6=C(C=C5)C(=O)N)C(=O)N)C(=O)O)C(=NC7=CC(=CC=C7)N)N)N

InChI

InChI=1S/C37H28N8O4/c38-16-3-1-5-18(13-16)44-33(40)23-10-7-21-20-8-11-24(35(42)46)31-25(36(43)47)12-9-22(28(20)31)29-27(37(48)49)15-26(30(23)32(21)29)34(41)45-19-6-2-4-17(39)14-19/h1-15H,38-39H2,(H2,40,44)(H2,41,45)(H2,42,46)(H2,43,47)(H,48,49)