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

Systemtic Name: N-[(4-methylphenyl)methyl]-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-(p-tolylmethyl)-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-[(4-methylphenyl)methyl]-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (4-methylbenzyl)-[5-nitro-6-(8-quinolylthio)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)CNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O2S/c1-14-7-9-15(10-8-14)12-23-20-19(26(27)28)21(25-13-24-20)29-17-6-2-4-16-5-3-11-22-18(16)17/h2-11,13H,12H2,1H3,(H,23,24,25)