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

Systemtic Name: ethyl 2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanoate Openeye Name: ethyl 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanoate CAS Name: 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanoate Traditional Name: 2-[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]propionic acid ethyl ester Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O3S/c1-3-17-9(16)5(2)18-10-12-7-6(4-11-14-7)8(15)13-10/h4-5H,3H2,1-2H3,(H2,11,12,13,14,15)