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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

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