N-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C19H11ClFN5O2S MolecularWeight: 427.839343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)F)Cl)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)F)Cl)N=CC=C2

InChI

InChI=1S/C19H11ClFN5O2S/c20-13-9-12(6-7-14(13)21)25-18-17(26(27)28)19(24-10-23-18)29-15-5-1-3-11-4-2-8-22-16(11)15/h1-10H,(H,23,24,25)