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

Systemtic Name: [2-(6-aminopurin-9-yl)-5-methyl-4-oxidanyl-oxolan-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(6-aminopurin-9-yl)-4-hydroxy-5-methyl-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(6-aminopurin-9-yl)-4-hydroxy-5-methyl-3-oxolanyl] ester IUPAC Name: [2-(6-aminopurin-9-yl)-4-hydroxy-5-methyloxolan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-adenin-9-yl-4-hydroxy-5-methyl-tetrahydrofuran-3-yl) ester Formula: C17H19N5O5S MolecularWeight: 405.42826

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OS(=O)(=O)C4=CC=C(C=C4)C)O

Isomeric SMILES

CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OS(=O)(=O)C4=CC=C(C=C4)C)O

InChI

InChI=1S/C17H19N5O5S/c1-9-3-5-11(6-4-9)28(24,25)27-14-13(23)10(2)26-17(14)22-8-21-12-15(18)19-7-20-16(12)22/h3-8,10,13-14,17,23H,1-2H3,(H2,18,19,20)