ethyl 2-methyl-2-[(2-methyl-3-oxidanylidene-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]propanoate

Systemtic Name: ethyl 2-methyl-2-[(2-methyl-3-oxidanylidene-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]propanoate Openeye Name: ethyl 2-methyl-2-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]propanoate CAS Name: 2-methyl-2-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]propanoate Traditional Name: 2-[(3-keto-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]-2-methyl-propionic acid ethyl ester Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC=NC2=C1NN(C2=O)C

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC=NC2=C1NN(C2=O)C

InChI

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