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

Systemtic Name: diethyl 2-[1-(2,3-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanedioate Openeye Name: diethyl 2-[1-(2,3-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]propanedioate CAS Name: 2-[1-(2,3-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanedioate Traditional Name: 2-[1-(2,3-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]malonic acid diethyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c1-5-28-19(26)16(20(27)29-6-2)23-11-21-17-14(18(23)25)10-22-24(17)15-9-7-8-12(3)13(15)4/h7-11,16H,5-6H2,1-4H3