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

Systemtic Name: 4-[3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Openeye Name: 4-[3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide CAS Name: 4-[[1-oxo-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propyl]amino]benzamide IUPAC Name: 4-[3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Traditional Name: 4-[3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H18N6O3/c22-19(29)14-6-8-15(9-7-14)25-18(28)10-11-26-13-23-20-17(21(26)30)12-24-27(20)16-4-2-1-3-5-16/h1-9,12-13H,10-11H2,(H2,22,29)(H,25,28)