ethyl 3-oxidanylidene-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanoate Openeye Name: ethyl 3-oxo-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanoate CAS Name: 3-oxo-4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanoate Traditional Name: 3-keto-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butyric acid ethyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O3S/c1-2-24-15(23)8-13(22)10-25-17-14-9-20-21(16(14)18-11-19-17)12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3