ethyl 2-methyl-2-[[1-(4-nitrophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanoate

Systemtic Name: ethyl 2-methyl-2-[[1-(4-nitrophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanoate Openeye Name: ethyl 2-methyl-2-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanoate CAS Name: 2-methyl-2-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanoate Traditional Name: 2-[[4-keto-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C17H17N5O5S MolecularWeight: 403.41238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5S/c1-4-27-15(24)17(2,3)28-16-19-13-12(14(23)20-16)9-18-21(13)10-5-7-11(8-6-10)22(25)26/h5-9,18H,4H2,1-3H3