diethyl 2-[1-(2-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanedioate

Systemtic Name: diethyl 2-[1-(2-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanedioate Openeye Name: diethyl 2-[1-(o-tolyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]propanedioate CAS Name: 2-[1-(2-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(2-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanedioate Traditional Name: 2-[4-keto-1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]malonic acid diethyl ester Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3C

InChI

InChI=1S/C19H20N4O5/c1-4-27-18(25)15(19(26)28-5-2)22-11-20-16-13(17(22)24)10-21-23(16)14-9-7-6-8-12(14)3/h6-11,15H,4-5H2,1-3H3