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

Systemtic Name: ethyl 2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]butanoate Openeye Name: ethyl 2-[4-oxo-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]butanoate CAS Name: 2-[1-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]butanoate Traditional Name: 2-[4-keto-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]butyric acid ethyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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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

Isomeric SMILES

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

InChI

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