2-tert-butyl-4-[4-[3-(4-phenylmethoxypyrimidin-2-yl)oxypropyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

Systemtic Name: 2-tert-butyl-4-[4-[3-(4-phenylmethoxypyrimidin-2-yl)oxypropyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine Openeye Name: 4-[4-[3-(4-benzyloxypyrimidin-2-yl)oxypropyl]piperazin-1-yl]-2-tert-butyl-6-(trifluoromethyl)pyrimidine CAS Name: 2-tert-butyl-4-[4-[3-[(4-phenylmethoxy-2-pyrimidinyl)oxy]propyl]-1-piperazinyl]-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-tert-butyl-4-[4-[3-(4-phenylmethoxypyrimidin-2-yl)oxypropyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine Traditional Name: 4-[4-[3-(4-benzoxypyrimidin-2-yl)oxypropyl]piperazino]-2-tert-butyl-6-(trifluoromethyl)pyrimidine Formula: C27H33F3N6O2 MolecularWeight: 530.58513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCOC3=NC=CC(=N3)OCC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCOC3=NC=CC(=N3)OCC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C27H33F3N6O2/c1-26(2,3)24-32-21(27(28,29)30)18-22(33-24)36-15-13-35(14-16-36)12-7-17-37-25-31-11-10-23(34-25)38-19-20-8-5-4-6-9-20/h4-6,8-11,18H,7,12-17,19H2,1-3H3