diethyl 2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanedioate

Systemtic Name: diethyl 2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanedioate CAS Name: 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanedioate Traditional Name: 2-[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]malonic acid diethyl ester Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC(=O)C2=CNNC2=N1

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC(=O)C2=CNNC2=N1

InChI

InChI=1S/C12H14N4O5S/c1-3-20-10(18)7(11(19)21-4-2)22-12-14-8-6(5-13-16-8)9(17)15-12/h5,7H,3-4H2,1-2H3,(H2,13,14,15,16,17)