[3-[1-(6-oxidanylidene-3H-purin-9-yl)ethyl]phenyl] ethanoate

Systemtic Name: [3-[1-(6-oxidanylidene-3H-purin-9-yl)ethyl]phenyl] ethanoate Openeye Name: [3-[1-(6-oxo-3H-purin-9-yl)ethyl]phenyl] acetate CAS Name: acetic acid [3-[1-(6-oxo-3H-purin-9-yl)ethyl]phenyl] ester IUPAC Name: [3-[1-(6-oxo-3H-purin-9-yl)ethyl]phenyl] acetate Traditional Name: acetic acid [3-[1-(6-keto-3H-purin-9-yl)ethyl]phenyl] ester Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC(=O)C)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CC(C1=CC(=CC=C1)OC(=O)C)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C15H14N4O3/c1-9(11-4-3-5-12(6-11)22-10(2)20)19-8-18-13-14(19)16-7-17-15(13)21/h3-9H,1-2H3,(H,16,17,21)