N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-quinolin-5-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N4-(m-tolyl)-5-nitro-N6-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amine Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O2/c1-3-27(16-8-4-7-15(2)13-16)22-20(28(29)30)21(24-14-25-22)26-19-11-5-10-18-17(19)9-6-12-23-18/h4-14H,3H2,1-2H3,(H,24,25,26)