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

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]amine Formula: C14H11ClF3N5O2 MolecularWeight: 373.71765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClF3N5O2/c1-2-5-19-12-11(23(24)25)13(21-7-20-12)22-8-3-4-10(15)9(6-8)14(16,17)18/h2-4,6-7H,1,5H2,(H2,19,20,21,22)