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

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N-(4-butylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(5-bromo-8-quinolyl)oxy]-N-(4-butylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N-(4-butylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(5-bromoquinolin-8-yl)oxy-N-(4-butylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C23H20BrN5O3 MolecularWeight: 494.3406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H20BrN5O3/c1-2-3-5-15-7-9-16(10-8-15)28-22-21(29(30)31)23(27-14-26-22)32-19-12-11-18(24)17-6-4-13-25-20(17)19/h4,6-14H,2-3,5H2,1H3,(H,26,27,28)