2-tert-butyl-4-[4-[3-[[5-(methoxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine hydrochloride

Systemtic Name: 2-tert-butyl-4-[4-[3-[[5-(methoxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine hydrochloride Openeye Name: 2-tert-butyl-4-[4-[3-[[5-(methoxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine hydrochloride CAS Name: 2-tert-butyl-4-[4-[3-[[5-(methoxymethyl)-4-methyl-1,2,4-triazol-3-yl]thio]propyl]-1-piperazinyl]-6-(trifluoromethyl)pyrimidine hydrochloride IUPAC Name: 2-tert-butyl-4-[4-[3-[[5-(methoxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine hydrochloride Traditional Name: 2-tert-butyl-4-[4-[3-[[5-(methoxymethyl)-4-methyl-1,2,4-triazol-3-yl]thio]propyl]piperazino]-6-(trifluoromethyl)pyrimidine hydrochloride Formula: C21H33ClF3N7OS MolecularWeight: 524.04623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NN=C(N3C)COC)C(F)(F)F.Cl

Isomeric SMILES

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NN=C(N3C)COC)C(F)(F)F.Cl

InChI

InChI=1S/C21H32F3N7OS.ClH/c1-20(2,3)18-25-15(21(22,23)24)13-16(26-18)31-10-8-30(9-11-31)7-6-12-33-19-28-27-17(14-32-5)29(19)4;/h13H,6-12,14H2,1-5H3;1H