N6-(2-methylphenyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-methylphenyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(o-tolyl)-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-(2-methylphenyl)-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2-methylphenyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(o-toluidino)pyrimidin-4-yl]-(8-quinolyl)amine Formula: C20H16N6O2 MolecularWeight: 372.38004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O2/c1-13-6-2-3-9-15(13)24-19-18(26(27)28)20(23-12-22-19)25-16-10-4-7-14-8-5-11-21-17(14)16/h2-12H,1H3,(H2,22,23,24,25)