[(2R,3S,4R,5R)-5-(6-azanyl-2-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-azanyl-2-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate Openeye Name: [(2R,3S,4R,5R)-5-(6-amino-2-bromo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate CAS Name: sulfamic acid [(2R,3S,4R,5R)-5-(6-amino-2-bromo-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-(6-amino-2-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate Traditional Name: sulfamic acid [(2R,3S,4R,5R)-5-(6-amino-2-bromo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C10H13BrN6O6S MolecularWeight: 425.21582

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COS(=O)(=O)N)O)O)N=C(N=C2N)Br

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N=C(N=C2N)Br

InChI

InChI=1S/C10H13BrN6O6S/c11-10-15-7(12)4-8(16-10)17(2-14-4)9-6(19)5(18)3(23-9)1-22-24(13,20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,15,16)(H2,13,20,21)/t3-,5-,6-,9-/m1/s1