N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-fluoranyl-2-methyl-5-propyl-pyrimidin-4-amine

Systemtic Name: N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-fluoranyl-2-methyl-5-propyl-pyrimidin-4-amine Openeye Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-fluoro-2-methyl-5-propyl-pyrimidin-4-amine CAS Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-fluoro-2-methyl-5-propyl-4-pyrimidinamine IUPAC Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-fluoro-2-methyl-5-propylpyrimidin-4-amine Traditional Name: [3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-(6-fluoro-2-methyl-5-propyl-pyrimidin-4-yl)amine Formula: C15H12ClF4N5O4 MolecularWeight: 437.733493

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(N=C1F)C)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(N=C(N=C1F)C)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClF4N5O4/c1-3-4-7-13(17)21-6(2)22-14(7)23-11-9(24(26)27)5-8(15(18,19)20)10(16)12(11)25(28)29/h5H,3-4H2,1-2H3,(H,21,22,23)