4,9,10-triaminocarbonyl-3-carbamimidoyl-perylene-1-carboxylic acid

Systemtic Name: 4,9,10-triaminocarbonyl-3-carbamimidoyl-perylene-1-carboxylic acid Openeye Name: 3-carbamimidoyl-4,9,10-tricarbamoyl-perylene-1-carboxylic acid CAS Name: 3-carbamimidoyl-4,9,10-tricarbamoyl-1-perylenecarboxylic acid IUPAC Name: 3-carbamimidoyl-4,9,10-tricarbamoylperylene-1-carboxylic acid Traditional Name: 3-amidino-4,9,10-tricarbamoyl-perylene-1-carboxylic acid Formula: C25H17N5O5 MolecularWeight: 467.43298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC=C3C2=C1C4=C5C3=C(C=C(C5=C(C=C4)C(=O)N)C(=N)N)C(=O)O)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=C2C(=CC=C3C2=C1C4=C5C3=C(C=C(C5=C(C=C4)C(=O)N)C(=N)N)C(=O)O)C(=O)N)C(=O)N

InChI

InChI=1S/C25H17N5O5/c26-21(27)14-7-15(25(34)35)17-10-3-6-12(23(29)32)18-11(22(28)31)4-1-8(16(10)18)9-2-5-13(24(30)33)19(14)20(9)17/h1-7H,(H3,26,27)(H2,28,31)(H2,29,32)(H2,30,33)(H,34,35)