2-tert-butyl-4-[4-[3-(5-methyl-4-phenylmethoxy-pyrimidin-2-yl)oxypropyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

Systemtic Name: 2-tert-butyl-4-[4-[3-(5-methyl-4-phenylmethoxy-pyrimidin-2-yl)oxypropyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine Openeye Name: 4-benzyloxy-2-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propoxy]-5-methyl-pyrimidine CAS Name: 2-tert-butyl-4-[4-[3-[(5-methyl-4-phenylmethoxy-2-pyrimidinyl)oxy]propyl]-1-piperazinyl]-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-tert-butyl-4-[4-[3-(5-methyl-4-phenylmethoxypyrimidin-2-yl)oxypropyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine Traditional Name: 4-benzoxy-2-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazino]propoxy]-5-methyl-pyrimidine Formula: C28H35F3N6O2 MolecularWeight: 544.61171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1OCC2=CC=CC=C2)OCCCN3CCN(CC3)C4=NC(=NC(=C4)C(F)(F)F)C(C)(C)C

Isomeric SMILES

CC1=CN=C(N=C1OCC2=CC=CC=C2)OCCCN3CCN(CC3)C4=NC(=NC(=C4)C(F)(F)F)C(C)(C)C

InChI

InChI=1S/C28H35F3N6O2/c1-20-18-32-26(35-24(20)39-19-21-9-6-5-7-10-21)38-16-8-11-36-12-14-37(15-13-36)23-17-22(28(29,30)31)33-25(34-23)27(2,3)4/h5-7,9-10,17-18H,8,11-16,19H2,1-4H3