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

Systemtic Name: [(1S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl sulfamate Openeye Name: [(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl sulfamate CAS Name: sulfamic acid [(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]methyl ester IUPAC Name: [(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl sulfamate Traditional Name: sulfamic acid [(1S,4R)-4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl ester Formula: C11H14N6O4S MolecularWeight: 326.33166

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1N2C=NC3=C2NC(=NC3=O)N)COS(=O)(=O)N

Isomeric SMILES

C1[C@@H](C=C[C@@H]1N2C=NC3=C2NC(=NC3=O)N)COS(=O)(=O)N

InChI

InChI=1S/C11H14N6O4S/c12-11-15-9-8(10(18)16-11)14-5-17(9)7-2-1-6(3-7)4-21-22(13,19)20/h1-2,5-7H,3-4H2,(H2,13,19,20)(H3,12,15,16,18)/t6-,7+/m1/s1