N6-butyl-N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]amine Formula: C15H15ClF3N5O2 MolecularWeight: 389.76011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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