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

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-N6-ethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-ethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-ethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-ethyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-ethyl-amine Formula: C13H11ClF3N5O2 MolecularWeight: 361.70695

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C13H11ClF3N5O2/c1-2-18-11-10(22(23)24)12(20-6-19-11)21-9-5-7(13(15,16)17)3-4-8(9)14/h3-6H,2H2,1H3,(H2,18,19,20,21)