5,8-diaminocarbonyl-1,4-bis[N'-(2-aminophenyl)carbamimidoyl]naphthalene-2-carboxylic acid

Systemtic Name: 5,8-diaminocarbonyl-1,4-bis[N'-(2-aminophenyl)carbamimidoyl]naphthalene-2-carboxylic acid Openeye Name: 1,4-bis[N'-(2-aminophenyl)carbamimidoyl]-5,8-dicarbamoyl-naphthalene-2-carboxylic acid CAS Name: 1,4-bis[amino-(2-aminophenyl)iminomethyl]-5,8-dicarbamoyl-2-naphthalenecarboxylic acid IUPAC Name: 1,4-bis[N'-(2-aminophenyl)carbamimidoyl]-5,8-dicarbamoylnaphthalene-2-carboxylic acid Traditional Name: 1,4-bis[N'-(2-aminophenyl)amidino]-5,8-dicarbamoyl-2-naphthoic acid Formula: C27H24N8O4 MolecularWeight: 524.53066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)N=C(C2=CC(=C(C3=C(C=CC(=C23)C(=O)N)C(=O)N)C(=NC4=CC=CC=C4N)N)C(=O)O)N

Isomeric SMILES

C1=CC=C(C(=C1)N)N=C(C2=CC(=C(C3=C(C=CC(=C23)C(=O)N)C(=O)N)C(=NC4=CC=CC=C4N)N)C(=O)O)N

InChI

InChI=1S/C27H24N8O4/c28-16-5-1-3-7-18(16)34-23(30)14-11-15(27(38)39)22(24(31)35-19-8-4-2-6-17(19)29)21-13(26(33)37)10-9-12(20(14)21)25(32)36/h1-11H,28-29H2,(H2,30,34)(H2,31,35)(H2,32,36)(H2,33,37)(H,38,39)