[5-(2-benzamido-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [5-(2-benzamido-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-(2-benzamido-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(2-benzamido-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-benzamido-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(2-benzamido-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C24H23N5O7S MolecularWeight: 525.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(CC(O2)N3C=NC4=C3NC(=NC4=O)NC(=O)C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(CC(O2)N3C=NC4=C3NC(=NC4=O)NC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C24H23N5O7S/c1-14-7-9-16(10-8-14)37(33,34)35-12-18-17(30)11-19(36-18)29-13-25-20-21(29)26-24(28-23(20)32)27-22(31)15-5-3-2-4-6-15/h2-10,13,17-19,30H,11-12H2,1H3,(H2,26,27,28,31,32)