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

Systemtic Name: N4-(2,5-dimethylphenyl)-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethylphenyl)-5-nitro-N6-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethylphenyl)-5-nitro-N6-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethylphenyl)-5-nitro-6-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H18N6O2/c1-13-8-9-14(2)17(11-13)26-21-19(27(28)29)20(23-12-24-21)25-16-7-3-5-15-6-4-10-22-18(15)16/h3-12H,1-2H3,(H2,23,24,25,26)