N-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)quinolin-5-amine

Systemtic Name: N-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)quinolin-5-amine Openeye Name: N-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)quinolin-5-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-(5-quinolyl)amine Formula: C22H14N6O2S MolecularWeight: 426.45056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4C=CC=N5)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC5=C4C=CC=N5)N=CC=C2

InChI

InChI=1S/C22H14N6O2S/c29-28(30)20-21(27-17-9-2-8-16-15(17)7-4-11-23-16)25-13-26-22(20)31-18-10-1-5-14-6-3-12-24-19(14)18/h1-13H,(H,25,26,27)