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

Systemtic Name: 2-[3-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanoylamino]benzamide Openeye Name: 2-[3-[4-oxo-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]propanoylamino]benzamide CAS Name: 2-[[3-[1-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanoylamino]benzamide Traditional Name: 2-[3-[4-keto-1-(p-tolyl)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=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NC4=CC=CC=C4C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NC4=CC=CC=C4C(=O)N

InChI

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