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

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-N6-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-N6-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C21H17ClN6O4 MolecularWeight: 452.85048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4)Cl)OC

InChI

InChI=1S/C21H17ClN6O4/c1-31-16-10-17(32-2)15(9-13(16)22)27-21-19(28(29)30)20(24-11-25-21)26-14-7-3-5-12-6-4-8-23-18(12)14/h3-11H,1-2H3,(H2,24,25,26,27)