6-(5-bromanylquinolin-8-yl)oxy-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(5-bromanylquinolin-8-yl)oxy-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(5-bromo-8-quinolyl)oxy]-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(5-bromo-8-quinolinyl)oxy]-N-[(4-fluorophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(5-bromoquinolin-8-yl)oxy-N-[(4-fluorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C20H13BrFN5O3 MolecularWeight: 470.251323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)OC3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=C(C=C4)F)Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)OC3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=C(C=C4)F)Br

InChI

InChI=1S/C20H13BrFN5O3/c21-15-7-8-16(17-14(15)2-1-9-23-17)30-20-18(27(28)29)19(25-11-26-20)24-10-12-3-5-13(22)6-4-12/h1-9,11H,10H2,(H,24,25,26)