N6-(2,3-dimethylphenyl)-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dimethylphenyl)-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dimethylphenyl)-5-nitro-N4-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-(2,3-dimethylphenyl)-5-nitro-N4-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dimethylphenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: [6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4)C

InChI

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