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

Systemtic Name: N4-(2,5-dimethylphenyl)-5-nitro-N6-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethylphenyl)-5-nitro-N6-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethylphenyl)-5-nitro-N6-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethylphenyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(5-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=C3C=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

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