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

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-(4-methyl-2-oxidanyl-phenyl)carbonylsulfamate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl N-(2-hydroxy-4-methyl-benzoyl)sulfamate CAS Name: N-[(2-hydroxy-4-methylphenyl)-oxomethyl]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-hydroxy-4-methylbenzoyl)sulfamate Traditional Name: N-(2-hydroxy-4-methyl-benzoyl)sulfamic acid [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H20N6O8S MolecularWeight: 480.4518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)O

InChI

InChI=1S/C18H20N6O8S/c1-8-2-3-9(10(25)4-8)17(28)23-33(29,30)31-5-11-13(26)14(27)18(32-11)24-7-22-12-15(19)20-6-21-16(12)24/h2-4,6-7,11,13-14,18,25-27H,5H2,1H3,(H,23,28)(H2,19,20,21)/t11-,13-,14-,18-/m1/s1