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

Systemtic Name: 5-nitro-N6-propyl-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-propyl-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-propyl-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(propylamino)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C14H14F3N5O2 MolecularWeight: 341.28847

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H14F3N5O2/c1-2-6-18-12-11(22(23)24)13(20-8-19-12)21-10-5-3-4-9(7-10)14(15,16)17/h3-5,7-8H,2,6H2,1H3,(H2,18,19,20,21)