N4-butan-2-yl-5-nitro-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-5-nitro-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-sec-butyl-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-5-nitro-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(sec-butylamino)pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C15H16F3N5O3 MolecularWeight: 371.31445

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16F3N5O3/c1-3-9(2)21-13-12(23(24)25)14(20-8-19-13)22-10-4-6-11(7-5-10)26-15(16,17)18/h4-9H,3H2,1-2H3,(H2,19,20,21,22)