N4-ethyl-N4-(3-methylphenyl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-(2-methyl-5-quinolyl)-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-N6-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C23H22N6O2 MolecularWeight: 414.45978

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O2/c1-4-28(17-8-5-7-15(2)13-17)23-21(29(30)31)22(24-14-25-23)27-20-10-6-9-19-18(20)12-11-16(3)26-19/h5-14H,4H2,1-3H3,(H,24,25,27)