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

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

Systemtic Name:[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 4-methylbenzenesulfonate
Openeye Name:[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate
CAS Name:4-methylbenzenesulfonic acid [5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester
IUPAC Name:[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
Traditional Name:4-methylbenzenesulfonic acid (5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methyl ester
Formula: C17H19N5O5S
MolecularWeight: 405.42826
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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=C4N)O


Isomeric SMILES

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


InChI

InChI=1S/C17H19N5O5S/c1-10-2-4-11(5-3-10)28(24,25)26-7-13-12(23)6-14(27-13)22-9-21-15-16(18)19-8-20-17(15)22/h2-5,8-9,12-14,23H,6-7H2,1H3,(H2,18,19,20)


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