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

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C19H15ClF3N5O2 MolecularWeight: 437.80291

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H15ClF3N5O2/c20-15-7-6-13(10-14(15)19(21,22)23)27-18-16(28(29)30)17(25-11-26-18)24-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,24,25,26,27)