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

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-[(4-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H12Cl2FN5O2 MolecularWeight: 408.213883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12Cl2FN5O2/c18-11-3-1-10(2-4-11)8-21-16-15(25(26)27)17(23-9-22-16)24-12-5-6-14(20)13(19)7-12/h1-7,9H,8H2,(H2,21,22,23,24)