[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2-hydroxyphenyl)methyl]sulfamate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2-hydroxyphenyl)methyl]sulfamate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl N-[(2-hydroxyphenyl)methyl]sulfamate CAS Name: N-[(2-hydroxyphenyl)methyl]sulfamic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2-hydroxyphenyl)methyl]sulfamate Traditional Name: N-salicylsulfamic acid [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H20N6O7S MolecularWeight: 452.4417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=C1)CNS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)O

InChI

InChI=1S/C17H20N6O7S/c18-15-12-16(20-7-19-15)23(8-21-12)17-14(26)13(25)11(30-17)6-29-31(27,28)22-5-9-3-1-2-4-10(9)24/h1-4,7-8,11,13-14,17,22,24-26H,5-6H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1