2-(4-chloranyl-6-quinolin-6-yloxy-pyrimidin-2-yl)sulfanyloctanoic acid

Systemtic Name: 2-(4-chloranyl-6-quinolin-6-yloxy-pyrimidin-2-yl)sulfanyloctanoic acid Openeye Name: 2-[4-chloro-6-(6-quinolyloxy)pyrimidin-2-yl]sulfanyloctanoic acid CAS Name: 2-[[4-chloro-6-(6-quinolinyloxy)-2-pyrimidinyl]thio]octanoic acid IUPAC Name: 2-(4-chloro-6-quinolin-6-yloxypyrimidin-2-yl)sulfanyloctanoic acid Traditional Name: 2-[[4-chloro-6-(6-quinolyloxy)pyrimidin-2-yl]thio]caprylic acid Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)OC2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)OC2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C21H22ClN3O3S/c1-2-3-4-5-8-17(20(26)27)29-21-24-18(22)13-19(25-21)28-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,26,27)