[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]sulfamate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]sulfamate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl N-(2-oxo-1H-pyridine-3-carbonyl)sulfamate CAS Name: N-[oxo-(2-oxo-1H-pyridin-3-yl)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-oxo-1H-pyridine-3-carbonyl)sulfamate Traditional Name: N-(2-keto-1H-pyridine-3-carbonyl)sulfamic acid [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C16H17N7O8S MolecularWeight: 467.41328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CNC(=O)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

InChI

InChI=1S/C16H17N7O8S/c17-12-9-13(20-5-19-12)23(6-21-9)16-11(25)10(24)8(31-16)4-30-32(28,29)22-15(27)7-2-1-3-18-14(7)26/h1-3,5-6,8,10-11,16,24-25H,4H2,(H,18,26)(H,22,27)(H2,17,19,20)/t8-,10-,11-,16-/m1/s1