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

Systemtic Name: [5-(6-azanyl-2-ethynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate Openeye Name: [5-(6-amino-2-ethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate CAS Name: sulfamic acid [5-(6-amino-2-ethynyl-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-amino-2-ethynylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate Traditional Name: sulfamic acid [5-(6-amino-2-ethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C12H14N6O6S MolecularWeight: 370.34116

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COS(=O)(=O)N)O)O

Isomeric SMILES

C#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COS(=O)(=O)N)O)O

InChI

InChI=1S/C12H14N6O6S/c1-2-6-16-10(13)7-11(17-6)18(4-15-7)12-9(20)8(19)5(24-12)3-23-25(14,21)22/h1,4-5,8-9,12,19-20H,3H2,(H2,13,16,17)(H2,14,21,22)