2-methyl-N-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]quinolin-5-amine

Systemtic Name: 2-methyl-N-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]quinolin-5-amine Openeye Name: 2-methyl-N-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]quinolin-5-amine CAS Name: 2-methyl-N-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-5-quinolinamine IUPAC Name: 2-methyl-N-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]quinolin-5-amine Traditional Name: (2-methyl-5-quinolyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C21H17N5O2S MolecularWeight: 403.45698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC(=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC(=N4)C

InChI

InChI=1S/C21H17N5O2S/c1-13-6-9-15(10-7-13)29-21-19(26(27)28)20(22-12-23-21)25-18-5-3-4-17-16(18)11-8-14(2)24-17/h3-12H,1-2H3,(H,22,23,25)