2-(1,5-dimethyl-4-oxidanylidene-pyrazolo[3,4-d]pyridazin-3-yl)sulfanylethanoic acid

Systemtic Name: 2-(1,5-dimethyl-4-oxidanylidene-pyrazolo[3,4-d]pyridazin-3-yl)sulfanylethanoic acid Openeye Name: 2-(1,5-dimethyl-4-oxo-pyrazolo[3,4-d]pyridazin-3-yl)sulfanylacetic acid CAS Name: 2-[(1,5-dimethyl-4-oxo-3-pyrazolo[3,4-d]pyridazinyl)thio]acetic acid IUPAC Name: 2-(1,5-dimethyl-4-oxopyrazolo[3,4-d]pyridazin-3-yl)sulfanylacetic acid Traditional Name: 2-[(4-keto-1,5-dimethyl-pyrazolo[3,4-d]pyridazin-3-yl)thio]acetic acid Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)SCC(=O)O)C(=O)N(N=C2)C

Isomeric SMILES

CN1C2=C(C(=N1)SCC(=O)O)C(=O)N(N=C2)C

InChI

InChI=1S/C9H10N4O3S/c1-12-5-3-10-13(2)9(16)7(5)8(11-12)17-4-6(14)15/h3H,4H2,1-2H3,(H,14,15)