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

Systemtic Name: N4-tert-butyl-N6-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-[2-chloro-5-(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=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

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