[(2R,3R,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(4-methylphenyl)carbonyloxy-oxolan-3-yl] 4-methylbenzoate

Systemtic Name: [(2R,3R,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(4-methylphenyl)carbonyloxy-oxolan-3-yl] 4-methylbenzoate Openeye Name: [(2R,3R,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(4-methylbenzoyl)oxy-tetrahydrofuran-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3R,4S,5R)-2-(hydroxymethyl)-5-(6-methoxy-9-purinyl)-4-[(4-methylphenyl)-oxomethoxy]-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(4-methylbenzoyl)oxyoxolan-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3R,4S,5R)-5-(6-methoxypurin-9-yl)-2-methylol-4-p-toluoyloxy-tetrahydrofuran-3-yl] ester Formula: C27H26N4O7 MolecularWeight: 518.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2C(OC(C2OC(=O)C3=CC=C(C=C3)C)N4C=NC5=C4N=CN=C5OC)CO

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](O[C@H]([C@H]2OC(=O)C3=CC=C(C=C3)C)N4C=NC5=C4N=CN=C5OC)CO

InChI

InChI=1S/C27H26N4O7/c1-15-4-8-17(9-5-15)26(33)37-21-19(12-32)36-25(22(21)38-27(34)18-10-6-16(2)7-11-18)31-14-30-20-23(31)28-13-29-24(20)35-3/h4-11,13-14,19,21-22,25,32H,12H2,1-3H3/t19-,21-,22+,25-/m1/s1