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

Systemtic Name: ethyl 2-[(2-tert-butyl-3-oxidanylidene-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(2-tert-butyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]acetate CAS Name: 2-[(2-tert-butyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-tert-butyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]acetate Traditional Name: 2-[(2-tert-butyl-3-keto-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=NC2=C1NN(C2=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)CSC1=NC=NC2=C1NN(C2=O)C(C)(C)C

InChI

InChI=1S/C13H18N4O3S/c1-5-20-8(18)6-21-11-9-10(14-7-15-11)12(19)17(16-9)13(2,3)4/h7,16H,5-6H2,1-4H3