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

Systemtic Name: N6-[2-chloranyl-5-(trifluoromethyl)phenyl]-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-[2-chloro-5-(trifluoromethyl)phenyl]-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-[2-chloro-5-(trifluoromethyl)phenyl]-N4-methyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C18H13ClF3N5O2 MolecularWeight: 423.77633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClF3N5O2/c1-26(12-5-3-2-4-6-12)17-15(27(28)29)16(23-10-24-17)25-14-9-11(18(20,21)22)7-8-13(14)19/h2-10H,1H3,(H,23,24,25)