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

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-5-nitro-N4-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-5-nitro-N4-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C19H12ClFN6O2 MolecularWeight: 410.788983

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClFN6O2/c20-13-9-11(6-7-14(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)