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

Systemtic Name: methyl 5-[[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-oxo-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylate CAS Name: 5-[[1-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-keto-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H16N4O4 MolecularWeight: 364.35474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C19H16N4O4/c1-12-3-5-13(6-4-12)23-17-15(9-21-23)18(24)22(11-20-17)10-14-7-8-16(27-14)19(25)26-2/h3-9,11H,10H2,1-2H3