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

Systemtic Name: N6-(2-methylphenyl)-N4-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-8-quinolyl)-5-nitro-N6-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N6-(2-methylphenyl)-N4-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-methylphenyl)-4-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methyl-8-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=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4C)C=C1

InChI

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