2-[4-[2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-(2,6-dioxo-3,7-dihydropurin-8-yl)phenoxy]acetic acid CAS Name: 2-[4-(2,6-dioxo-3,7-dihydropurin-8-yl)phenoxy]acetic acid IUPAC Name: 2-[4-(2,6-dioxo-3,7-dihydropurin-8-yl)phenoxy]acetic acid Traditional Name: 2-[4-(2,6-diketo-3,7-dihydropurin-8-yl)phenoxy]acetic acid Formula: C13H10N4O5 MolecularWeight: 302.2423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C(=O)NC(=O)N3)OCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C(=O)NC(=O)N3)OCC(=O)O

InChI

InChI=1S/C13H10N4O5/c18-8(19)5-22-7-3-1-6(2-4-7)10-14-9-11(15-10)16-13(21)17-12(9)20/h1-4H,5H2,(H,18,19)(H3,14,15,16,17,20,21)