5-nitro-N6-prop-2-enyl-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-prop-2-enyl-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-allyl-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-prop-2-enyl-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-prop-2-enyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: allyl-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C14H12F3N5O2 MolecularWeight: 339.27259

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H12F3N5O2/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/h2-5,7-8H,1,6H2,(H2,18,19,20,21)