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

Systemtic Name: methyl 2-[3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: methyl 2-[3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 2-[[3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 2-[3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoic acid methyl ester Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CCC(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CCC(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C23H21N5O4/c1-15-25-21-18(14-24-28(21)16-8-4-3-5-9-16)22(30)27(15)13-12-20(29)26-19-11-7-6-10-17(19)23(31)32-2/h3-11,14H,12-13H2,1-2H3,(H,26,29)