N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C15H15ClF3N5O3 MolecularWeight: 405.75951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C15H15ClF3N5O3/c1-27-6-2-5-20-13-12(24(25)26)14(22-8-21-13)23-11-7-9(15(17,18)19)3-4-10(11)16/h3-4,7-8H,2,5-6H2,1H3,(H2,20,21,22,23)