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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)C2=NC3=C(N2)C(=O)NC(=O)N3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)C2=NC3=C(N2)C(=O)NC(=O)N3

InChI

InChI=1S/C13H10N4O5/c1-22-7-4-5(12(19)20)2-3-6(7)9-14-8-10(15-9)16-13(21)17-11(8)18/h2-4H,1H3,(H,19,20)(H3,14,15,16,17,18,21)