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

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(2-methyl-5-quinolyl)amine Formula: C22H19ClN6O4 MolecularWeight: 466.87706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4=CC(=C(C=C4OC)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4=CC(=C(C=C4OC)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN6O4/c1-12-7-8-13-15(26-12)5-4-6-16(13)27-21-20(29(30)31)22(25-11-24-21)28-17-9-14(23)18(32-2)10-19(17)33-3/h4-11H,1-3H3,(H2,24,25,27,28)