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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C=NC2=C(C1=O)C=NN2C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC(C(=O)OCC)N1C=NC2=C(C1=O)C=NN2C3=CC(=C(C=C3)C)C

InChI

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