5-[4-azanyl-3-(4-fluoranyl-3-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pentanenitrile

Systemtic Name: 5-[4-azanyl-3-(4-fluoranyl-3-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pentanenitrile Openeye Name: 5-[4-amino-3-(4-fluoro-3-hydroxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pentanenitrile CAS Name: 5-[4-amino-3-(4-fluoro-3-hydroxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]pentanenitrile IUPAC Name: 5-[4-amino-3-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pentanenitrile Traditional Name: 5-[4-amino-3-(4-fluoro-3-hydroxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]valeronitrile Formula: C16H15FN6O MolecularWeight: 326.328303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN6O/c17-11-5-4-10(8-12(11)24)14-13-15(19)20-9-21-16(13)23(22-14)7-3-1-2-6-18/h4-5,8-9,24H,1-3,7H2,(H2,19,20,21)