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

Systemtic Name: methyl 4-[[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O4/c1-31-22(30)16-9-7-15(8-10-16)11-23-19(28)13-26-14-24-20-18(21(26)29)12-25-27(20)17-5-3-2-4-6-17/h2-10,12,14H,11,13H2,1H3,(H,23,28)