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

Systemtic Name: 2-[9-(4-methoxyphenyl)-6-oxidanylidene-purin-1-yl]ethanoate Openeye Name: 2-[9-(4-methoxyphenyl)-6-oxo-purin-1-yl]acetate CAS Name: 2-[9-(4-methoxyphenyl)-6-oxo-1-purinyl]acetate IUPAC Name: 2-[9-(4-methoxyphenyl)-6-oxopurin-1-yl]acetate Traditional Name: 2-[6-keto-9-(4-methoxyphenyl)purin-1-yl]acetate Formula: C14H11N4O4- MolecularWeight: 299.26154

Click to see the large picture

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)/p-1