5-bromanyl-8-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)oxy-quinoline

Systemtic Name: 5-bromanyl-8-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)oxy-quinoline Openeye Name: 5-bromo-8-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]oxy-quinoline CAS Name: 5-bromo-8-[[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]oxy]quinoline IUPAC Name: 5-bromo-8-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)oxyquinoline Traditional Name: 5-bromo-8-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]oxy-quinoline Formula: C22H12BrN5O3S MolecularWeight: 506.33138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])OC4=C5C(=C(C=C4)Br)C=CC=N5)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])OC4=C5C(=C(C=C4)Br)C=CC=N5)N=CC=C2

InChI

InChI=1S/C22H12BrN5O3S/c23-15-8-9-16(19-14(15)6-3-11-25-19)31-21-20(28(29)30)22(27-12-26-21)32-17-7-1-4-13-5-2-10-24-18(13)17/h1-12H