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

Systemtic Name: 2-[3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoylamino]benzamide Openeye Name: 2-[3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoylamino]benzamide CAS Name: 2-[[1-oxo-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propyl]amino]benzamide IUPAC Name: 2-[3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoylamino]benzamide Traditional Name: 2-[3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoylamino]benzamide Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NC4=CC=CC=C4C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NC4=CC=CC=C4C(=O)N

InChI

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