6-(5-bromanylquinolin-8-yl)oxy-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(5-bromo-8-quinolyl)oxy]-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N-(2,3-dimethylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(5-bromoquinolin-8-yl)oxy-N-(2,3-dimethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-(2,3-dimethylphenyl)amine Formula: C21H16BrN5O3 MolecularWeight: 466.28744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-])C

InChI

InChI=1S/C21H16BrN5O3/c1-12-5-3-7-16(13(12)2)26-20-19(27(28)29)21(25-11-24-20)30-17-9-8-15(22)14-6-4-10-23-18(14)17/h3-11H,1-2H3,(H,24,25,26)