N-[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

Systemtic Name: N-[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Openeye Name: N-[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-5-methyl-isoxazol-3-amine CAS Name: N-[6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]-5-methyl-3-isoxazolamine IUPAC Name: N-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Traditional Name: [6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C17H11BrN6O4 MolecularWeight: 443.21104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C17H11BrN6O4/c1-9-7-13(23-28-9)22-16-15(24(25)26)17(21-8-20-16)27-12-5-4-11(18)10-3-2-6-19-14(10)12/h2-8H,1H3,(H,20,21,22,23)