N-[3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-4-fluoro-benzamide CAS Name: N-[3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-4-fluorobenzamide IUPAC Name: N-[3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxyphenyl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[3-(4-keto-1,3-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]benzamide Formula: C23H22FN5O3 MolecularWeight: 435.450883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)F)C3=NC(=O)C4=C(NN(C4=N3)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)F)C3=NC(=O)C4=C(NN(C4=N3)C)C

InChI

InChI=1S/C23H22FN5O3/c1-4-11-32-18-10-9-16(25-22(30)14-5-7-15(24)8-6-14)12-17(18)20-26-21-19(23(31)27-20)13(2)28-29(21)3/h5-10,12,28H,4,11H2,1-3H3,(H,25,30)