N6-(4-ethoxyphenyl)-N4-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-ethoxyphenyl)-N4-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-ethoxyphenyl)-N4-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-ethoxyphenyl)-N4-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-ethoxyphenyl)-4-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methyl-8-quinolyl)-[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amine Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O3/c1-3-31-17-11-9-16(10-12-17)26-21-20(28(29)30)22(24-13-23-21)27-18-6-4-5-15-8-7-14(2)25-19(15)18/h4-13H,3H2,1-2H3,(H2,23,24,26,27)