N4-ethyl-N6-(2-methylquinolin-5-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N6-(2-methylquinolin-5-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-(2-methyl-5-quinolyl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-(2-methyl-5-quinolinyl)-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-6-N-(2-methylquinolin-5-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: ethyl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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