6-(5-bromanylquinolin-8-yl)oxy-N-(3-methylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N-(3-methylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(5-bromo-8-quinolyl)oxy]-N-(m-tolyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N-(3-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(5-bromoquinolin-8-yl)oxy-N-(3-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C20H14BrN5O3 MolecularWeight: 452.26086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN5O3/c1-12-4-2-5-13(10-12)25-19-18(26(27)28)20(24-11-23-19)29-16-8-7-15(21)14-6-3-9-22-17(14)16/h2-11H,1H3,(H,23,24,25)