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

Systemtic Name: 2-methyl-N-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)quinolin-5-amine Openeye Name: 2-methyl-N-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]quinolin-5-amine CAS Name: 2-methyl-N-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]-5-quinolinamine IUPAC Name: 2-methyl-N-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)quinolin-5-amine Traditional Name: (2-methyl-5-quinolyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C23H16N6O2S MolecularWeight: 440.47714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H16N6O2S/c1-14-10-11-16-17(27-14)7-3-8-18(16)28-22-21(29(30)31)23(26-13-25-22)32-19-9-2-5-15-6-4-12-24-20(15)19/h2-13H,1H3,(H,25,26,28)