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

Systemtic Name: N6-(4-methylphenyl)-N4-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-8-quinolyl)-5-nitro-N6-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N6-(4-methylphenyl)-N4-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-methylphenyl)-4-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methyl-8-quinolyl)-[5-nitro-6-(p-toluidino)pyrimidin-4-yl]amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O2/c1-13-6-10-16(11-7-13)25-20-19(27(28)29)21(23-12-22-20)26-17-5-3-4-15-9-8-14(2)24-18(15)17/h3-12H,1-2H3,(H2,22,23,25,26)