tert-butyl 2-[(2-methyl-3-oxidanylidene-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[(2-methyl-3-oxidanylidene-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]acetate CAS Name: 2-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]acetate Traditional Name: 2-[(3-keto-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid tert-butyl ester Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC=NC2=C1NN(C2=O)C

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC=NC2=C1NN(C2=O)C

InChI

InChI=1S/C12H16N4O3S/c1-12(2,3)19-7(17)5-20-10-8-9(13-6-14-10)11(18)16(4)15-8/h6,15H,5H2,1-4H3