6-chloranyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylsulfanyl-pyrimidin-4-amine

Systemtic Name: 6-chloranyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylsulfanyl-pyrimidin-4-amine Openeye Name: 6-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylsulfanyl-pyrimidin-4-amine CAS Name: 6-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-(methylthio)-4-pyrimidinamine IUPAC Name: 6-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylsulfanylpyrimidin-4-amine Traditional Name: [6-chloro-2-(methylthio)pyrimidin-4-yl]-[2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C12H7ClF3N5O4S MolecularWeight: 409.72829

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)Cl)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC(=CC(=N1)Cl)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H7ClF3N5O4S/c1-26-11-17-8(13)4-9(19-11)18-10-6(20(22)23)2-5(12(14,15)16)3-7(10)21(24)25/h2-4H,1H3,(H,17,18,19)