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

Systemtic Name: N6-[3,4-bis(fluoranyl)phenyl]-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N6-(3,4-difluorophenyl)-5-nitro-N4-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-(3,4-difluorophenyl)-5-nitro-N4-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3,4-difluorophenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: [6-(3,4-difluoroanilino)-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C19H12F2N6O2 MolecularWeight: 394.334386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C19H12F2N6O2/c20-13-7-6-11(9-14(13)21)25-18-17(27(28)29)19(24-10-23-18)26-16-5-1-4-15-12(16)3-2-8-22-15/h1-10H,(H2,23,24,25,26)