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

Systemtic Name: ethyl 3-methyl-2-[(2-methyl-3-oxidanylidene-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]butanoate Openeye Name: ethyl 3-methyl-2-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]butanoate CAS Name: 3-methyl-2-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[(2-methyl-3-oxo-1H-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl]butanoate Traditional Name: 2-[(3-keto-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)thio]-3-methyl-butyric acid ethyl ester Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3S/c1-5-20-13(19)10(7(2)3)21-11-8-9(14-6-15-11)12(18)17(4)16-8/h6-7,10,16H,5H2,1-4H3