N6-butyl-N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]amine Formula: C15H15ClF3N5O2 MolecularWeight: 389.76011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C15H15ClF3N5O2/c1-2-3-6-20-13-12(24(25)26)14(22-8-21-13)23-9-4-5-11(16)10(7-9)15(17,18)19/h4-5,7-8H,2-3,6H2,1H3,(H2,20,21,22,23)