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

Systemtic Name: N4-butyl-N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C16H17ClF3N5O2 MolecularWeight: 403.78669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClF3N5O2/c1-3-4-7-24(2)15-13(25(26)27)14(21-9-22-15)23-10-5-6-12(17)11(8-10)16(18,19)20/h5-6,8-9H,3-4,7H2,1-2H3,(H,21,22,23)