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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

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