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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1F)CC)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(N=C(N=C1F)CC)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

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