N6-(2-chlorophenyl)-N4-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-chlorophenyl)-N4-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-chlorophenyl)-N4-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-chlorophenyl)-N4-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-chlorophenyl)-4-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-chloroanilino)-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C20H15ClN6O2 MolecularWeight: 406.8251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=CC=CC=C4Cl)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=CC=CC=C4Cl)[N+](=O)[O-])C=C1

InChI

InChI=1S/C20H15ClN6O2/c1-12-9-10-13-5-4-8-16(17(13)24-12)26-20-18(27(28)29)19(22-11-23-20)25-15-7-3-2-6-14(15)21/h2-11H,1H3,(H2,22,23,25,26)