4-[2,4-bis(azanyl)-8-oxidanylidene-6H-pyrrolo[3,4-g]pteridin-7-yl]benzoic acid

Systemtic Name: 4-[2,4-bis(azanyl)-8-oxidanylidene-6H-pyrrolo[3,4-g]pteridin-7-yl]benzoic acid Openeye Name: 4-(2,4-diamino-8-oxo-6H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid CAS Name: 4-(2,4-diamino-8-oxo-6H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid IUPAC Name: 4-(2,4-diamino-8-oxo-6H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid Traditional Name: 4-(2,4-diamino-8-keto-6H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid Formula: C15H11N7O3 MolecularWeight: 337.29294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NC3=C(N=C2C(=O)N1C4=CC=C(C=C4)C(=O)O)N=C(N=C3N)N

Isomeric SMILES

C1C2=NC3=C(N=C2C(=O)N1C4=CC=C(C=C4)C(=O)O)N=C(N=C3N)N

InChI

InChI=1S/C15H11N7O3/c16-11-10-12(21-15(17)20-11)19-9-8(18-10)5-22(13(9)23)7-3-1-6(2-4-7)14(24)25/h1-4H,5H2,(H,24,25)(H4,16,17,19,20,21)