[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N,N-dimethylsulfamate

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N,N-dimethylsulfamate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl N,N-dimethylsulfamate CAS Name: N,N-dimethylsulfamic acid [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N,N-dimethylsulfamate Traditional Name: N,N-dimethylsulfamic acid (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C12H18N6O6S MolecularWeight: 374.37292

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CN(C)S(=O)(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C12H18N6O6S/c1-17(2)25(21,22)23-3-6-8(19)9(20)12(24-6)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,19-20H,3H2,1-2H3,(H2,13,14,15)