4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-[[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C18H17F3N8O3 MolecularWeight: 450.37459

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(F)(F)F)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN1C(=CC(=N1)C(F)(F)F)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C18H17F3N8O3/c1-26-14(10-12(25-26)18(19,20)21)32-17-15(29(30)31)16(23-11-24-17)28-8-6-27(7-9-28)13-4-2-3-5-22-13/h2-5,10-11H,6-9H2,1H3