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

Systemtic Name: methyl 2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-4-14(17(23)24-3)20-10-18-15-13(16(20)22)9-19-21(15)12-7-5-11(2)6-8-12/h5-10,14H,4H2,1-3H3