N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(2-pyrimidylthio)propionamide Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCSC2=NC=CC=N2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCSC2=NC=CC=N2)Br)OC

InChI

InChI=1S/C17H20BrN3O3S/c1-23-14-10-12(13(18)11-15(14)24-2)4-8-19-16(22)5-9-25-17-20-6-3-7-21-17/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,19,22)