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

Systemtic Name: methyl 2-[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-5-15(18(24)25-4)21-10-19-16-14(17(21)23)9-20-22(16)13-7-6-11(2)12(3)8-13/h6-10,15H,5H2,1-4H3