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

Systemtic Name: methyl 2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC(=O)C2=CNNC2=N1

Isomeric SMILES

CC(C(=O)OC)SC1=NC(=O)C2=CNNC2=N1

InChI

InChI=1S/C9H10N4O3S/c1-4(8(15)16-2)17-9-11-6-5(3-10-13-6)7(14)12-9/h3-4H,1-2H3,(H2,10,11,12,13,14)