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

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N6-phenyl-pyrimidine-4,6-diamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-[4-chloro-3-(trifluoromethyl)phenyl]amine Formula: C17H11ClF3N5O2 MolecularWeight: 409.74975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClF3N5O2/c18-13-7-6-11(8-12(13)17(19,20)21)25-16-14(26(27)28)15(22-9-23-16)24-10-4-2-1-3-5-10/h1-9H,(H2,22,23,24,25)