[(1S,4R)-4-[6-(dimethylamino)-2-oxidanylidene-3H-purin-9-yl]cyclopent-2-en-1-yl]methyl sulfamate

Systemtic Name: [(1S,4R)-4-[6-(dimethylamino)-2-oxidanylidene-3H-purin-9-yl]cyclopent-2-en-1-yl]methyl sulfamate Openeye Name: [(1S,4R)-4-[6-(dimethylamino)-2-oxo-3H-purin-9-yl]cyclopent-2-en-1-yl]methyl sulfamate CAS Name: sulfamic acid [(1S,4R)-4-[6-(dimethylamino)-2-oxo-3H-purin-9-yl]-1-cyclopent-2-enyl]methyl ester IUPAC Name: [(1S,4R)-4-[6-(dimethylamino)-2-oxo-3H-purin-9-yl]cyclopent-2-en-1-yl]methyl sulfamate Traditional Name: sulfamic acid [(1S,4R)-4-[6-(dimethylamino)-2-keto-3H-purin-9-yl]cyclopent-2-en-1-yl]methyl ester Formula: C13H18N6O4S MolecularWeight: 354.38482

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=O)NC2=C1N=CN2C3CC(C=C3)COS(=O)(=O)N

Isomeric SMILES

CN(C)C1=NC(=O)NC2=C1N=CN2[C@@H]3C[C@@H](C=C3)COS(=O)(=O)N

InChI

InChI=1S/C13H18N6O4S/c1-18(2)11-10-12(17-13(20)16-11)19(7-15-10)9-4-3-8(5-9)6-23-24(14,21)22/h3-4,7-9H,5-6H2,1-2H3,(H2,14,21,22)(H,16,17,20)/t8-,9+/m1/s1