2-(3-azanyl-6-tert-butyl-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-2-yl)ethanesulfonic acid

Systemtic Name: 2-(3-azanyl-6-tert-butyl-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-2-yl)ethanesulfonic acid Openeye Name: 2-(3-amino-6-tert-butyl-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-2-yl)ethanesulfonic acid CAS Name: 2-(3-amino-6-tert-butyl-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-2-yl)ethanesulfonic acid IUPAC Name: 2-(3-amino-6-tert-butyl-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-2-yl)ethanesulfonic acid Traditional Name: 2-(3-amino-6-tert-butyl-4-keto-1H-pyrazolo[3,4-d]pyrimidin-2-yl)ethanesulfonic acid Formula: C11H17N5O4S MolecularWeight: 315.34878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=O)C2=C(N(NC2=N1)CCS(=O)(=O)O)N

Isomeric SMILES

CC(C)(C)C1=NC(=O)C2=C(N(NC2=N1)CCS(=O)(=O)O)N

InChI

InChI=1S/C11H17N5O4S/c1-11(2,3)10-13-8-6(9(17)14-10)7(12)16(15-8)4-5-21(18,19)20/h4-5,12H2,1-3H3,(H,18,19,20)(H,13,14,15,17)