2-[4-chloranyl-6-(2-phenoxyethylamino)pyrimidin-2-yl]sulfanyloctanoic acid

Systemtic Name: 2-[4-chloranyl-6-(2-phenoxyethylamino)pyrimidin-2-yl]sulfanyloctanoic acid Openeye Name: 2-[4-chloro-6-(2-phenoxyethylamino)pyrimidin-2-yl]sulfanyloctanoic acid CAS Name: 2-[[4-chloro-6-(2-phenoxyethylamino)-2-pyrimidinyl]thio]octanoic acid IUPAC Name: 2-[4-chloro-6-(2-phenoxyethylamino)pyrimidin-2-yl]sulfanyloctanoic acid Traditional Name: 2-[[4-chloro-6-(2-phenoxyethylamino)pyrimidin-2-yl]thio]caprylic acid Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NCCOC2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NCCOC2=CC=CC=C2

InChI

InChI=1S/C20H26ClN3O3S/c1-2-3-4-8-11-16(19(25)26)28-20-23-17(21)14-18(24-20)22-12-13-27-15-9-6-5-7-10-15/h5-7,9-10,14,16H,2-4,8,11-13H2,1H3,(H,25,26)(H,22,23,24)