2-[4-[5-fluoranyl-4-(2-hydroxyethylamino)pyrimidin-2-yl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[5-fluoranyl-4-(2-hydroxyethylamino)pyrimidin-2-yl]phenyl]ethanenitrile Openeye Name: 2-[4-[5-fluoro-4-(2-hydroxyethylamino)pyrimidin-2-yl]phenyl]acetonitrile CAS Name: 2-[4-[5-fluoro-4-(2-hydroxyethylamino)-2-pyrimidinyl]phenyl]acetonitrile IUPAC Name: 2-[4-[5-fluoro-4-(2-hydroxyethylamino)pyrimidin-2-yl]phenyl]acetonitrile Traditional Name: 2-[4-[5-fluoro-4-(2-hydroxyethylamino)pyrimidin-2-yl]phenyl]acetonitrile Formula: C14H13FN4O MolecularWeight: 272.277623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)C2=NC=C(C(=N2)NCCO)F

Isomeric SMILES

C1=CC(=CC=C1CC#N)C2=NC=C(C(=N2)NCCO)F

InChI

InChI=1S/C14H13FN4O/c15-12-9-18-13(19-14(12)17-7-8-20)11-3-1-10(2-4-11)5-6-16/h1-4,9,20H,5,7-8H2,(H,17,18,19)