[5-(6-aminopurin-9-yl)-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [5-(6-aminopurin-9-yl)-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [5-(6-aminopurin-9-yl)-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-(6-aminopurin-9-yl)-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (5-adenin-9-yl-3-p-toluoyloxy-tetrahydrofuran-2-yl)methyl ester Formula: C26H25N5O5 MolecularWeight: 487.5072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=NC4=C3N=CN=C4N)OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=NC4=C3N=CN=C4N)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H25N5O5/c1-15-3-7-17(8-4-15)25(32)34-12-20-19(36-26(33)18-9-5-16(2)6-10-18)11-21(35-20)31-14-30-22-23(27)28-13-29-24(22)31/h3-10,13-14,19-21H,11-12H2,1-2H3,(H2,27,28,29)