[2-(hydroxymethyl)-5-[6-oxidanylidene-2-(2-phenylethanoylamino)-3H-purin-9-yl]oxolan-3-yl] ethanoate

Systemtic Name: [2-(hydroxymethyl)-5-[6-oxidanylidene-2-(2-phenylethanoylamino)-3H-purin-9-yl]oxolan-3-yl] ethanoate Openeye Name: [2-(hydroxymethyl)-5-[6-oxo-2-[(2-phenylacetyl)amino]-3H-purin-9-yl]tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [2-(hydroxymethyl)-5-[6-oxo-2-[(1-oxo-2-phenylethyl)amino]-3H-purin-9-yl]-3-oxolanyl] ester IUPAC Name: [2-(hydroxymethyl)-5-[6-oxo-2-[(2-phenylacetyl)amino]-3H-purin-9-yl]oxolan-3-yl] acetate Traditional Name: acetic acid [5-[6-keto-2-[(2-phenylacetyl)amino]-3H-purin-9-yl]-2-methylol-tetrahydrofuran-3-yl] ester Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1CO)N2C=NC3=C2NC(=NC3=O)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1CC(OC1CO)N2C=NC3=C2NC(=NC3=O)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O6/c1-11(27)30-13-8-16(31-14(13)9-26)25-10-21-17-18(25)23-20(24-19(17)29)22-15(28)7-12-5-3-2-4-6-12/h2-6,10,13-14,16,26H,7-9H2,1H3,(H2,22,23,24,28,29)