5-bromanyl-6-ethyl-N-[1-[4-(4-fluoranylphenoxy)phenyl]propyl]pyrimidin-4-amine

Systemtic Name: 5-bromanyl-6-ethyl-N-[1-[4-(4-fluoranylphenoxy)phenyl]propyl]pyrimidin-4-amine Openeye Name: 5-bromo-6-ethyl-N-[1-[4-(4-fluorophenoxy)phenyl]propyl]pyrimidin-4-amine CAS Name: 5-bromo-6-ethyl-N-[1-[4-(4-fluorophenoxy)phenyl]propyl]-4-pyrimidinamine IUPAC Name: 5-bromo-6-ethyl-N-[1-[4-(4-fluorophenoxy)phenyl]propyl]pyrimidin-4-amine Traditional Name: (5-bromo-6-ethyl-pyrimidin-4-yl)-[1-[4-(4-fluorophenoxy)phenyl]propyl]amine Formula: C21H21BrFN3O MolecularWeight: 430.313343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NC(CC)C2=CC=C(C=C2)OC3=CC=C(C=C3)F)Br

Isomeric SMILES

CCC1=C(C(=NC=N1)NC(CC)C2=CC=C(C=C2)OC3=CC=C(C=C3)F)Br

InChI

InChI=1S/C21H21BrFN3O/c1-3-18(26-21-20(22)19(4-2)24-13-25-21)14-5-9-16(10-6-14)27-17-11-7-15(23)8-12-17/h5-13,18H,3-4H2,1-2H3,(H,24,25,26)