[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

Click to see the large picture

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)