N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: [2-chloro-5-(trifluoromethyl)phenyl]-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C21H13ClF3N5O3 MolecularWeight: 475.80783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=CC(=C4)C(F)(F)F)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=CC(=C4)C(F)(F)F)Cl)C=C1

InChI

InChI=1S/C21H13ClF3N5O3/c1-11-5-6-12-3-2-4-16(17(12)28-11)33-20-18(30(31)32)19(26-10-27-20)29-15-9-13(21(23,24)25)7-8-14(15)22/h2-10H,1H3,(H,26,27,29)