N4-[2,5-bis(fluoranyl)phenyl]-5-nitro-N6-quinolin-5-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-[2,5-bis(fluoranyl)phenyl]-5-nitro-N6-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-difluorophenyl)-5-nitro-N6-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-(2,5-difluorophenyl)-5-nitro-N6-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-difluorophenyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: [6-(2,5-difluoroanilino)-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C19H12F2N6O2 MolecularWeight: 394.334386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)NC3=C(C(=NC=N3)NC4=C(C=CC(=C4)F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC3=C(C(=NC=N3)NC4=C(C=CC(=C4)F)F)[N+](=O)[O-]

InChI

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