N-ethyl-N-(3-methylphenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-ethyl-N-(m-tolyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-ethyl-N-(3-methylphenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C22H19N5O2S MolecularWeight: 417.48356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O2S/c1-3-26(17-10-4-7-15(2)13-17)21-20(27(28)29)22(25-14-24-21)30-18-11-5-8-16-9-6-12-23-19(16)18/h4-14H,3H2,1-2H3