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

Systemtic Name: methyl 5-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H14N4O4S MolecularWeight: 382.39316

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=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C18H14N4O4S/c1-25-17(24)14-8-7-12(26-14)10-27-18-20-15-13(16(23)21-18)9-19-22(15)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3