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

Systemtic Name: ethyl 2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid ethyl ester Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C2=CNNC2=N1

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C2=CNNC2=N1

InChI

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