4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethoxy]benzoic acid Openeye Name: 4-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethoxy]benzoic acid CAS Name: 4-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethoxy]benzoic acid IUPAC Name: 4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethoxy]benzoic acid Traditional Name: 4-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethoxy]benzoic acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H16N4O5/c1-18-13-12(14(21)19(2)16(18)24)20(9-17-13)7-8-25-11-5-3-10(4-6-11)15(22)23/h3-6,9H,7-8H2,1-2H3,(H,22,23)