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

Systemtic Name: 2-butan-2-ylsulfanyl-6-chloranyl-N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-sec-butylsulfanyl-pyrimidin-4-amine CAS Name: 2-(butan-2-ylthio)-6-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 2-butan-2-ylsulfanyl-6-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-[6-chloro-2-(sec-butylthio)pyrimidin-4-yl]amine Formula: C15H12Cl2F3N5O4S MolecularWeight: 486.25309

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=CC(=N1)Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC(C)SC1=NC(=CC(=N1)Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H12Cl2F3N5O4S/c1-3-6(2)30-14-21-9(16)5-10(23-14)22-12-8(24(26)27)4-7(15(18,19)20)11(17)13(12)25(28)29/h4-6H,3H2,1-2H3,(H,21,22,23)