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

Systemtic Name: 5-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-oxo-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-keto-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-2-furoate Formula: C18H13N4O4S- MolecularWeight: 381.38522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=C(O4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=C(O4)C(=O)[O-]

InChI

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