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

Systemtic Name: 2-[3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Openeye Name: 2-[3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide CAS Name: 2-[[3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzamide IUPAC Name: 2-[3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Traditional Name: 2-[3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Formula: C22H20N6O3 MolecularWeight: 416.4326

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O3/c1-14-25-21-17(13-24-28(21)15-7-3-2-4-8-15)22(31)27(14)12-11-19(29)26-18-10-6-5-9-16(18)20(23)30/h2-10,13H,11-12H2,1H3,(H2,23,30)(H,26,29)