N6-(3-chloranyl-4-methyl-phenyl)-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-chloranyl-4-methyl-phenyl)-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-methyl-phenyl)-N4-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-methylphenyl)-N4-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-methylphenyl)-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(2-methyl-5-quinolyl)amine Formula: C21H17ClN6O2 MolecularWeight: 420.85168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC(=N4)C)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC(=N4)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN6O2/c1-12-6-8-14(10-16(12)22)26-20-19(28(29)30)21(24-11-23-20)27-18-5-3-4-17-15(18)9-7-13(2)25-17/h3-11H,1-2H3,(H2,23,24,26,27)