methyl 5-[[1-(4-nitrophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1-(4-nitrophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-keto-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H13N5O6S MolecularWeight: 427.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O6S/c1-28-17(25)14-7-6-12(29-14)9-30-18-20-15-13(16(24)21-18)8-19-22(15)10-2-4-11(5-3-10)23(26)27/h2-8,19H,9H2,1H3