N4-[2,5-bis(chloranyl)phenyl]-N6-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[2,5-bis(chloranyl)phenyl]-N6-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dichlorophenyl)-N6-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dichlorophenyl)-N6-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dichlorophenyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dichloroanilino)-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C20H14Cl2N6O2 MolecularWeight: 441.27016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=C(C=CC(=C4)Cl)Cl)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=C(C=CC(=C4)Cl)Cl)[N+](=O)[O-])C=C1

InChI

InChI=1S/C20H14Cl2N6O2/c1-11-5-6-12-3-2-4-15(17(12)25-11)26-19-18(28(29)30)20(24-10-23-19)27-16-9-13(21)7-8-14(16)22/h2-10H,1H3,(H2,23,24,26,27)