5-nitro-6-quinolin-8-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 5-nitro-6-quinolin-8-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(8-quinolylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(8-quinolinylthio)-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-quinolin-8-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C20H12F3N5O2S MolecularWeight: 443.40179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12F3N5O2S/c21-20(22,23)13-6-2-7-14(10-13)27-18-17(28(29)30)19(26-11-25-18)31-15-8-1-4-12-5-3-9-24-16(12)15/h1-11H,(H,25,26,27)