N4-(2,5-dimethoxyphenyl)-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N6-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N6-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-5-nitro-6-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C21H18N6O4 MolecularWeight: 418.40542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H18N6O4/c1-30-14-8-9-17(31-2)16(11-14)26-21-19(27(28)29)20(23-12-24-21)25-15-7-3-5-13-6-4-10-22-18(13)15/h3-12H,1-2H3,(H2,23,24,25,26)