2-[9-(4-methoxyphenyl)-6-oxidanylidene-purin-1-yl]ethanoic acid

Systemtic Name: 2-[9-(4-methoxyphenyl)-6-oxidanylidene-purin-1-yl]ethanoic acid Openeye Name: 2-[9-(4-methoxyphenyl)-6-oxo-purin-1-yl]acetic acid CAS Name: 2-[9-(4-methoxyphenyl)-6-oxo-1-purinyl]acetic acid IUPAC Name: 2-[9-(4-methoxyphenyl)-6-oxopurin-1-yl]acetic acid Traditional Name: 2-[6-keto-9-(4-methoxyphenyl)purin-1-yl]acetic acid Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NC3=C2N=CN(C3=O)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NC3=C2N=CN(C3=O)CC(=O)O

InChI

InChI=1S/C14H12N4O4/c1-22-10-4-2-9(3-5-10)18-8-15-12-13(18)16-7-17(14(12)21)6-11(19)20/h2-5,7-8H,6H2,1H3,(H,19,20)