[4-[3-(2-hydroxyethyloxymethyl)-9-oxidanylidene-5H-imidazo[1,2-a]purin-6-yl]phenyl] 2-methylpropanoate

Systemtic Name: [4-[3-(2-hydroxyethyloxymethyl)-9-oxidanylidene-5H-imidazo[1,2-a]purin-6-yl]phenyl] 2-methylpropanoate Openeye Name: [4-[3-(2-hydroxyethoxymethyl)-9-oxo-5H-imidazo[1,2-a]purin-6-yl]phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [4-[3-(2-hydroxyethoxymethyl)-9-oxo-5H-imidazo[1,2-a]purin-6-yl]phenyl] ester IUPAC Name: [4-[3-(2-hydroxyethoxymethyl)-9-oxo-5H-imidazo[1,2-a]purin-6-yl]phenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4-[3-(2-hydroxyethoxymethyl)-9-keto-5H-imidazo[1,2-a]purin-6-yl]phenyl] ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC=C(C=C1)C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COCCO

Isomeric SMILES

CC(C)C(=O)OC1=CC=C(C=C1)C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COCCO

InChI

InChI=1S/C20H21N5O5/c1-12(2)19(28)30-14-5-3-13(4-6-14)15-9-25-18(27)16-17(23-20(25)22-15)24(10-21-16)11-29-8-7-26/h3-6,9-10,12,26H,7-8,11H2,1-2H3,(H,22,23)