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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClF3N5O2/c1-3-23(4-2)14-12(24(25)26)13(20-8-21-14)22-9-5-6-11(16)10(7-9)15(17,18)19/h5-8H,3-4H2,1-2H3,(H,20,21,22)