methyl 2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butanoate

Systemtic Name: methyl 2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butanoate Openeye Name: methyl 2-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butanoate CAS Name: 2-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)butanoic acid methyl ester IUPAC Name: methyl 2-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)butanoate Traditional Name: 2-(4-keto-6-methyl-1-phenyl-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=CC=C3)C

Isomeric SMILES

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

InChI

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