4-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-(4-fluorophenyl)butan-1-one Formula: C16H18FN3O3 MolecularWeight: 319.330823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NCCCC(=O)C2=CC=C(C=C2)F)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NCCCC(=O)C2=CC=C(C=C2)F)OC

InChI

InChI=1S/C16H18FN3O3/c1-22-14-10-15(23-2)20-16(19-14)18-9-3-4-13(21)11-5-7-12(17)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,20)