N6-(2,3-dimethylphenyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dimethylphenyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dimethylphenyl)-5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-(2,3-dimethylphenyl)-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dimethylphenyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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