methyl 4-[(Z)-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzoate

Systemtic Name: methyl 4-[(Z)-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzoate Openeye Name: methyl 4-[(Z)-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzoic acid methyl ester Formula: C20H15N5O3 MolecularWeight: 373.3648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N\N2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H15N5O3/c1-28-20(27)15-9-7-14(8-10-15)11-22-24-13-21-18-17(19(24)26)12-23-25(18)16-5-3-2-4-6-16/h2-13H,1H3/b22-11-