[5-(6-benzamidopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [5-(6-benzamidopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-(6-benzamidopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(6-benzamido-9-purinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(6-benzamidopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C24H23N5O6S MolecularWeight: 509.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(CC(O2)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(CC(O2)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C24H23N5O6S/c1-15-7-9-17(10-8-15)36(32,33)34-12-19-18(30)11-20(35-19)29-14-27-21-22(25-13-26-23(21)29)28-24(31)16-5-3-2-4-6-16/h2-10,13-14,18-20,30H,11-12H2,1H3,(H,25,26,28,31)