2-[(1-methyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]ethanoate

Systemtic Name: 2-[(1-methyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]ethanoate Openeye Name: 2-[(1-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]acetate CAS Name: 2-[(1-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylthio]acetate IUPAC Name: 2-[(1-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]acetate Traditional Name: 2-[(4-keto-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylthio]acetate Formula: C9H9N4O3S- MolecularWeight: 253.25776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC(=O)C2=CN1)CSCC(=O)[O-]

Isomeric SMILES

CN1C2=NC(=NC(=O)C2=CN1)CSCC(=O)[O-]

InChI

InChI=1S/C9H10N4O3S/c1-13-8-5(2-10-13)9(16)12-6(11-8)3-17-4-7(14)15/h2,10H,3-4H2,1H3,(H,14,15)/p-1