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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4)Cl)OC

InChI

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