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

Systemtic Name: N4,N6-bis[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis[2-chloro-5-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis[2-chloro-5-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-[2-chloro-5-(trifluoromethyl)phenyl]amine Formula: C18H9Cl2F6N5O2 MolecularWeight: 512.192779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H9Cl2F6N5O2/c19-10-3-1-8(17(21,22)23)5-12(10)29-15-14(31(32)33)16(28-7-27-15)30-13-6-9(18(24,25)26)2-4-11(13)20/h1-7H,(H2,27,28,29,30)