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

Systemtic Name: ethyl 2-[[1-(4-nitrophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate CAS Name: 2-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetic acid ethyl ester Formula: C15H13N5O5S MolecularWeight: 375.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O5S/c1-2-25-12(21)8-26-15-17-13-11(14(22)18-15)7-16-19(13)9-3-5-10(6-4-9)20(23)24/h3-7,16H,2,8H2,1H3