1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]butan-2-ol

Systemtic Name: 1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]butan-2-ol Openeye Name: 1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]butan-2-ol CAS Name: 1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinyl]-2-butanol IUPAC Name: 1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]butan-2-ol Traditional Name: 1-[4-[6-ethyl-5-(4-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazino]butan-2-ol Formula: C22H31FN4O MolecularWeight: 386.506143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)CC(CC)O)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)CC(CC)O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H31FN4O/c1-4-19(28)15-26-10-12-27(13-11-26)22-20(21(5-2)24-16(3)25-22)14-17-6-8-18(23)9-7-17/h6-9,19,28H,4-5,10-15H2,1-3H3