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

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-2-prop-2-enyl-oxolan-2-yl]methyl N,N-dimethylsulfamate Openeye Name: [2-allyl-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-prop-2-enyl-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-prop-2-enyloxolan-2-yl]methyl N,N-dimethylsulfamate Traditional Name: N,N-dimethylsulfamic acid (5-adenin-9-yl-2-allyl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C15H22N6O6S MolecularWeight: 414.43678

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)OCC1(C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)CC=C

Isomeric SMILES

CN(C)S(=O)(=O)OCC1(C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)CC=C

InChI

InChI=1S/C15H22N6O6S/c1-4-5-15(6-26-28(24,25)20(2)3)11(23)10(22)14(27-15)21-8-19-9-12(16)17-7-18-13(9)21/h4,7-8,10-11,14,22-23H,1,5-6H2,2-3H3,(H2,16,17,18)