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

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

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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=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

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