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

Systemtic Name: 5-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-cyclopropyl-6-fluoranyl-pyrimidin-4-amine Openeye Name: 5-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-cyclopropyl-6-fluoro-pyrimidin-4-amine CAS Name: 5-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-cyclopropyl-6-fluoro-4-pyrimidinamine IUPAC Name: 5-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-cyclopropyl-6-fluoropyrimidin-4-amine Traditional Name: [5-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-cyclopropyl-6-fluoro-pyrimidin-4-yl]amine Formula: C14H8ClF4N5O4 MolecularWeight: 421.691033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(C(=N2)F)C3=C(C=C(C(=C3[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

C1CC1C2=NC(=C(C(=N2)F)C3=C(C=C(C(=C3[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])N

InChI

InChI=1S/C14H8ClF4N5O4/c15-9-5(14(17,18)19)3-6(23(25)26)7(10(9)24(27)28)8-11(16)21-13(4-1-2-4)22-12(8)20/h3-4H,1-2H2,(H2,20,21,22)