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

Systemtic Name: 4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-6-(4-pyridin-2-ylsulfanylpiperidin-1-yl)pyrimidine Openeye Name: 4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-6-[4-(2-pyridylsulfanyl)-1-piperidyl]pyrimidine CAS Name: 4-[[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-5-nitro-6-[4-(2-pyridinylthio)-1-piperidinyl]pyrimidine IUPAC Name: 4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-6-(4-pyridin-2-ylsulfanylpiperidin-1-yl)pyrimidine Traditional Name: 4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-6-[4-(2-pyridylthio)piperidino]pyrimidine Formula: C19H18F3N7O3S MolecularWeight: 481.45153

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(F)(F)F)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)SC4=CC=CC=N4

Isomeric SMILES

CN1C(=CC(=N1)C(F)(F)F)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)SC4=CC=CC=N4

InChI

InChI=1S/C19H18F3N7O3S/c1-27-15(10-13(26-27)19(20,21)22)32-18-16(29(30)31)17(24-11-25-18)28-8-5-12(6-9-28)33-14-4-2-3-7-23-14/h2-4,7,10-12H,5-6,8-9H2,1H3