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

Systemtic Name: 4-(3-methylsulfonylpyrrolidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-pyrimidine Openeye Name: 4-(3-methylsulfonylpyrrolidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-pyrimidine CAS Name: 4-(3-methylsulfonyl-1-pyrrolidinyl)-6-[[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-5-nitropyrimidine IUPAC Name: 4-(3-methylsulfonylpyrrolidin-1-yl)-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitropyrimidine Traditional Name: 4-(3-mesylpyrrolidino)-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-pyrimidine Formula: C14H15F3N6O5S MolecularWeight: 436.36631

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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(C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=CC(=N1)C(F)(F)F)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(C3)S(=O)(=O)C

InChI

InChI=1S/C14H15F3N6O5S/c1-21-10(5-9(20-21)14(15,16)17)28-13-11(23(24)25)12(18-7-19-13)22-4-3-8(6-22)29(2,26)27/h5,7-8H,3-4,6H2,1-2H3