N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methoxy-6-pyridin-2-ylsulfanyl-pyrimidin-2-amine

Systemtic Name: N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methoxy-6-pyridin-2-ylsulfanyl-pyrimidin-2-amine Openeye Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methoxy-6-(2-pyridylsulfanyl)pyrimidin-2-amine CAS Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methoxy-6-(2-pyridinylthio)-2-pyrimidinamine IUPAC Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methoxy-6-pyridin-2-ylsulfanylpyrimidin-2-amine Traditional Name: [3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-[4-methoxy-6-(2-pyridylthio)pyrimidin-2-yl]amine Formula: C17H10ClF3N6O5S MolecularWeight: 502.81171

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])SC3=CC=CC=N3

Isomeric SMILES

COC1=CC(=NC(=N1)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])SC3=CC=CC=N3

InChI

InChI=1S/C17H10ClF3N6O5S/c1-32-10-7-12(33-11-4-2-3-5-22-11)24-16(23-10)25-14-9(26(28)29)6-8(17(19,20)21)13(18)15(14)27(30)31/h2-7H,1H3,(H,23,24,25)