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

Systemtic Name: N-(4-methylphenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-(p-tolyl)-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(4-methylphenyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(4-methylphenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-(p-tolyl)amine Formula: C20H15N5O2S MolecularWeight: 389.4304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O2S/c1-13-7-9-15(10-8-13)24-19-18(25(26)27)20(23-12-22-19)28-16-6-2-4-14-5-3-11-21-17(14)16/h2-12H,1H3,(H,22,23,24)