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

Systemtic Name: 4-[2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethoxy]benzoic acid Openeye Name: 4-[2-(3-methyl-2,6-dioxo-purin-7-yl)ethoxy]benzoic acid CAS Name: 4-[2-(3-methyl-2,6-dioxo-7-purinyl)ethoxy]benzoic acid IUPAC Name: 4-[2-(3-methyl-2,6-dioxopurin-7-yl)ethoxy]benzoic acid Traditional Name: 4-[2-(2,6-diketo-3-methyl-purin-7-yl)ethoxy]benzoic acid Formula: C15H14N4O5 MolecularWeight: 330.29546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H14N4O5/c1-18-12-11(13(20)17-15(18)23)19(8-16-12)6-7-24-10-4-2-9(3-5-10)14(21)22/h2-5,8H,6-7H2,1H3,(H,21,22)(H,17,20,23)