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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-])N=CC=C2

InChI

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