N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-[(4-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(4-chlorobenzyl)amine Formula: C17H12BrClFN5O2 MolecularWeight: 452.664883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F)Cl

InChI

InChI=1S/C17H12BrClFN5O2/c18-11-3-6-14(13(20)7-11)24-17-15(25(26)27)16(22-9-23-17)21-8-10-1-4-12(19)5-2-10/h1-7,9H,8H2,(H2,21,22,23,24)