2-(2-ethyl-7-oxidanylidene-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylethanoate

Systemtic Name: 2-(2-ethyl-7-oxidanylidene-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylethanoate Openeye Name: 2-(2-ethyl-7-oxo-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetate CAS Name: 2-[(2-ethyl-7-oxo-6-propyl-5-pyrazolo[4,3-d]pyrimidinyl)thio]acetate IUPAC Name: 2-(2-ethyl-7-oxo-6-propylpyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetate Traditional Name: 2-[(2-ethyl-7-keto-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetate Formula: C12H15N4O3S- MolecularWeight: 295.3375

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=NN(C=C2N=C1SCC(=O)[O-])CC

Isomeric SMILES

CCCN1C(=O)C2=NN(C=C2N=C1SCC(=O)[O-])CC

InChI

InChI=1S/C12H16N4O3S/c1-3-5-16-11(19)10-8(6-15(4-2)14-10)13-12(16)20-7-9(17)18/h6H,3-5,7H2,1-2H3,(H,17,18)/p-1