[(2R,3aR,4R,6R,6aR)-4-(6-oxidanylidene-3H-purin-9-yl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ethanoate

Systemtic Name: [(2R,3aR,4R,6R,6aR)-4-(6-oxidanylidene-3H-purin-9-yl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ethanoate Openeye Name: [(2R,3aR,4R,6R,6aR)-4-(6-oxo-3H-purin-9-yl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate CAS Name: acetic acid [(2R,3aR,4R,6R,6aR)-4-(6-oxo-3H-purin-9-yl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester IUPAC Name: [(2R,3aR,4R,6R,6aR)-4-(6-oxo-3H-purin-9-yl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate Traditional Name: acetic acid [(2R,3aR,4R,6R,6aR)-4-(6-keto-3H-purin-9-yl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C2C(C(O1)N3C=NC4=C3NC=NC4=O)OC(O2)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3NC=NC4=O)O[C@@H](O2)C5=CC=CC=C5

InChI

InChI=1S/C19H18N4O6/c1-10(24)26-7-12-14-15(29-19(28-14)11-5-3-2-4-6-11)18(27-12)23-9-22-13-16(23)20-8-21-17(13)25/h2-6,8-9,12,14-15,18-19H,7H2,1H3,(H,20,21,25)/t12-,14-,15-,18-,19-/m1/s1