2-(6-ethyl-1-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylethanoate

Systemtic Name: 2-(6-ethyl-1-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylethanoate Openeye Name: 2-(6-ethyl-1-methyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetate CAS Name: 2-[(6-ethyl-1-methyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl)thio]acetate IUPAC Name: 2-(6-ethyl-1-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetate Traditional Name: 2-[(6-ethyl-7-keto-1-methyl-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetate Formula: C10H11N4O3S- MolecularWeight: 267.28434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=NN2C)N=C1SCC(=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=C(C=NN2C)N=C1SCC(=O)[O-]

InChI

InChI=1S/C10H12N4O3S/c1-3-14-9(17)8-6(4-11-13(8)2)12-10(14)18-5-7(15)16/h4H,3,5H2,1-2H3,(H,15,16)/p-1