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

Systemtic Name: N4,N6-bis[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-[4-chloro-3-(trifluoromethyl)phenyl]amine Formula: C18H9Cl2F6N5O2 MolecularWeight: 512.192779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F)Cl

InChI

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