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

Systemtic Name: N4-[3,4-bis(fluoranyl)phenyl]-N6-(3-bromophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-bromophenyl)-N4-(3,4-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-bromophenyl)-N4-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-bromophenyl)-4-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-(3,4-difluorophenyl)amine Formula: C16H10BrF2N5O2 MolecularWeight: 422.183706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C16H10BrF2N5O2/c17-9-2-1-3-10(6-9)22-15-14(24(25)26)16(21-8-20-15)23-11-4-5-12(18)13(19)7-11/h1-8H,(H2,20,21,22,23)