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

Systemtic Name: methyl 2-[[1-(4-nitrophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]butanoate Openeye Name: methyl 2-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]butanoate CAS Name: 2-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]butanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]butanoate Traditional Name: 2-[[4-keto-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]butyric acid methyl ester Formula: C16H15N5O5S MolecularWeight: 389.3858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O5S/c1-3-12(15(23)26-2)27-16-18-13-11(14(22)19-16)8-17-20(13)9-4-6-10(7-5-9)21(24)25/h4-8,12,17H,3H2,1-2H3