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

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

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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=C4C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4=CC=CC=C4C)[N+](=O)[O-]

InChI

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