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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrN5O3/c22-16-8-9-17(18-15(16)7-4-11-23-18)30-21-19(27(28)29)20(25-13-26-21)24-12-10-14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,24,25,26)