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

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-(3-chloranyl-2-oxidanyl-phenyl)carbonylsulfamate; N,N-diethylethanamine Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl N-(3-chloro-2-hydroxy-benzoyl)sulfamate; N,N-diethylethanamine CAS Name: N-[(3-chloro-2-hydroxyphenyl)-oxomethyl]sulfamic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester; N,N-diethylethanamine IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(3-chloro-2-hydroxybenzoyl)sulfamate; N,N-diethylethanamine Traditional Name: N-(3-chloro-2-hydroxy-benzoyl)sulfamic acid [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester; triethylamine Formula: C23H32ClN7O8S MolecularWeight: 602.06028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC(=C(C(=C1)Cl)O)C(=O)NS(=O)(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

CCN(CC)CC.C1=CC(=C(C(=C1)Cl)O)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/C17H17ClN6O8S.C6H15N/c18-8-3-1-2-7(11(8)25)16(28)23-33(29,30)31-4-9-12(26)13(27)17(32-9)24-6-22-10-14(19)20-5-21-15(10)24;1-4-7(5-2)6-3/h1-3,5-6,9,12-13,17,25-27H,4H2,(H,23,28)(H2,19,20,21);4-6H2,1-3H3/t9-,12-,13-,17-;/m1./s1