N4-(4-bromophenyl)-5-nitro-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N4-(4-bromophenyl)-5-nitro-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(4-bromophenyl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(4-bromophenyl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromophenyl)-5-nitro-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: [6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C17H11BrF3N5O3 MolecularWeight: 470.20015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrF3N5O3/c18-10-1-3-11(4-2-10)24-15-14(26(27)28)16(23-9-22-15)25-12-5-7-13(8-6-12)29-17(19,20)21/h1-9H,(H2,22,23,24,25)