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

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N-(2,5-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(5-bromo-8-quinolyl)oxy]-N-(2,5-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N-(2,5-dimethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(5-bromoquinolin-8-yl)oxy-N-(2,5-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C21H16BrN5O5 MolecularWeight: 498.28624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrN5O5/c1-30-12-5-7-16(31-2)15(10-12)26-20-19(27(28)29)21(25-11-24-20)32-17-8-6-14(22)13-4-3-9-23-18(13)17/h3-11H,1-2H3,(H,24,25,26)