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

Systemtic Name: butyl 2-[1-(3,5-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoate Openeye Name: butyl 2-[1-(3,5-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetate CAS Name: 2-[1-(3,5-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate Traditional Name: 2-[1-(3,5-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]acetic acid butyl ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCOC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C19H22N4O3/c1-4-5-6-26-17(24)11-22-12-20-18-16(19(22)25)10-21-23(18)15-8-13(2)7-14(3)9-15/h7-10,12H,4-6,11H2,1-3H3