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

Systemtic Name: ethyl 2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanoate Openeye Name: ethyl 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanoate CAS Name: 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanoate Traditional Name: 2-[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]butyric acid ethyl ester Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O3S/c1-3-7(10(17)18-4-2)19-11-13-8-6(5-12-15-8)9(16)14-11/h5,7H,3-4H2,1-2H3,(H2,12,13,14,15,16)