5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,3-dimethyl-pentane-1-sulfonic acid

Systemtic Name: 5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,3-dimethyl-pentane-1-sulfonic acid Openeye Name: 5-(2-amino-6-oxo-3H-purin-9-yl)-3,3-dimethyl-pentane-1-sulfonic acid CAS Name: 5-(2-amino-6-oxo-3H-purin-9-yl)-3,3-dimethyl-1-pentanesulfonic acid IUPAC Name: 5-(2-amino-6-oxo-3H-purin-9-yl)-3,3-dimethylpentane-1-sulfonic acid Traditional Name: 5-(2-amino-6-keto-3H-purin-9-yl)-3,3-dimethyl-pentane-1-sulfonic acid Formula: C12H19N5O4S MolecularWeight: 329.37536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C=NC2=C1NC(=NC2=O)N)CCS(=O)(=O)O

Isomeric SMILES

CC(C)(CCN1C=NC2=C1NC(=NC2=O)N)CCS(=O)(=O)O

InChI

InChI=1S/C12H19N5O4S/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H,19,20,21)(H3,13,15,16,18)