4-[4-azanyl-3-(4-fluoranyl-3-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]butanenitrile

Systemtic Name: 4-[4-azanyl-3-(4-fluoranyl-3-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]butanenitrile Openeye Name: 4-[4-amino-3-(4-fluoro-3-hydroxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]butanenitrile CAS Name: 4-[4-amino-3-(4-fluoro-3-hydroxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]butanenitrile IUPAC Name: 4-[4-amino-3-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]butanenitrile Traditional Name: 4-[4-amino-3-(4-fluoro-3-hydroxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]butyronitrile Formula: C15H13FN6O MolecularWeight: 312.301723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NN(C3=C2C(=NC=N3)N)CCCC#N)O)F

Isomeric SMILES

C1=CC(=C(C=C1C2=NN(C3=C2C(=NC=N3)N)CCCC#N)O)F

InChI

InChI=1S/C15H13FN6O/c16-10-4-3-9(7-11(10)23)13-12-14(18)19-8-20-15(12)22(21-13)6-2-1-5-17/h3-4,7-8,23H,1-2,6H2,(H2,18,19,20)