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

Systemtic Name: N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-cyclohexyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclohexyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-cyclohexyl-amine Formula: C17H17ClF3N5O2 MolecularWeight: 415.79739

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H17ClF3N5O2/c18-13-7-6-11(8-12(13)17(19,20)21)25-16-14(26(27)28)15(22-9-23-16)24-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,22,23,24,25)