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

Systemtic Name: 2-[(1-methyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(1-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]acetic acid CAS Name: 2-[(1-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylthio]acetic acid IUPAC Name: 2-[(1-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-keto-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylthio]acetic acid Formula: C9H10N4O3S MolecularWeight: 254.2657

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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)