7-[4-azanyl-3-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]oxy-2-oxidanyl-chromen-4-one

Systemtic Name: 7-[4-azanyl-3-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]oxy-2-oxidanyl-chromen-4-one Openeye Name: 7-[4-amino-3-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]oxy-2-hydroxy-chromen-4-one CAS Name: 7-[[4-amino-3-ethyl-1-(3-fluorophenyl)-6-pyrazolo[3,4-d]pyrimidinyl]oxy]-2-hydroxy-1-benzopyran-4-one IUPAC Name: 7-[4-amino-3-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]oxy-2-hydroxychromen-4-one Traditional Name: 7-[4-amino-3-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]oxy-2-hydroxy-chromone Formula: C22H16FN5O4 MolecularWeight: 433.391943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C(=NC(=N2)OC3=CC4=C(C=C3)C(=O)C=C(O4)O)N)C5=CC(=CC=C5)F

Isomeric SMILES

CCC1=NN(C2=C1C(=NC(=N2)OC3=CC4=C(C=C3)C(=O)C=C(O4)O)N)C5=CC(=CC=C5)F

InChI

InChI=1S/C22H16FN5O4/c1-2-15-19-20(24)25-22(26-21(19)28(27-15)12-5-3-4-11(23)8-12)31-13-6-7-14-16(29)10-18(30)32-17(14)9-13/h3-10,30H,2H2,1H3,(H2,24,25,26)