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

Systemtic Name: methyl 3-[2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate CAS Name: 3-[[2-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoic acid methyl ester Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CC(=O)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CC(=O)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C22H19N5O4/c1-14-24-20-18(12-23-27(20)17-9-4-3-5-10-17)21(29)26(14)13-19(28)25-16-8-6-7-15(11-16)22(30)31-2/h3-12H,13H2,1-2H3,(H,25,28)