[3-(4-methylphenyl)carbonyloxy-5-purin-9-yl-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [3-(4-methylphenyl)carbonyloxy-5-purin-9-yl-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [3-(4-methylbenzoyl)oxy-5-purin-9-yl-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[(4-methylphenyl)-oxomethoxy]-5-(9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [3-(4-methylbenzoyl)oxy-5-purin-9-yloxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-p-toluoyloxy-5-purin-9-yl-tetrahydrofuran-2-yl)methyl ester Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=NC4=CN=CN=C43)OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=NC4=CN=CN=C43)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H24N4O5/c1-16-3-7-18(8-4-16)25(31)33-13-22-21(35-26(32)19-9-5-17(2)6-10-19)11-23(34-22)30-15-29-20-12-27-14-28-24(20)30/h3-10,12,14-15,21-23H,11,13H2,1-2H3