ethyl 2-[4-chloranyl-6-(2-phenoxyethylamino)pyrimidin-2-yl]sulfanyloctanoate

Systemtic Name: ethyl 2-[4-chloranyl-6-(2-phenoxyethylamino)pyrimidin-2-yl]sulfanyloctanoate Openeye Name: ethyl 2-[4-chloro-6-(2-phenoxyethylamino)pyrimidin-2-yl]sulfanyloctanoate CAS Name: 2-[[4-chloro-6-(2-phenoxyethylamino)-2-pyrimidinyl]thio]octanoic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-6-(2-phenoxyethylamino)pyrimidin-2-yl]sulfanyloctanoate Traditional Name: 2-[[4-chloro-6-(2-phenoxyethylamino)pyrimidin-2-yl]thio]caprylic acid ethyl ester Formula: C22H30ClN3O3S MolecularWeight: 452.0099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O3S/c1-3-5-6-10-13-18(21(27)28-4-2)30-22-25-19(23)16-20(26-22)24-14-15-29-17-11-8-7-9-12-17/h7-9,11-12,16,18H,3-6,10,13-15H2,1-2H3,(H,24,25,26)