2-[2-(2-bromoethyloxymethoxy)ethylsulfanyl]-5-ethyl-6-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(2-bromoethyloxymethoxy)ethylsulfanyl]-5-ethyl-6-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-2-[2-(2-bromoethoxymethoxy)ethylsulfanyl]-5-ethyl-1H-pyrimidin-4-one CAS Name: 2-[2-(2-bromoethoxymethoxy)ethylthio]-5-ethyl-6-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-[2-(2-bromoethoxymethoxy)ethylsulfanyl]-5-ethyl-1H-pyrimidin-4-one Traditional Name: 6-benzyl-2-[2-(2-bromoethoxymethoxy)ethylthio]-5-ethyl-1H-pyrimidin-4-one Formula: C18H23BrN2O3S MolecularWeight: 427.35582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCCOCOCCBr)CC2=CC=CC=C2

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCCOCOCCBr)CC2=CC=CC=C2

InChI

InChI=1S/C18H23BrN2O3S/c1-2-15-16(12-14-6-4-3-5-7-14)20-18(21-17(15)22)25-11-10-24-13-23-9-8-19/h3-7H,2,8-13H2,1H3,(H,20,21,22)