2-[2-(2-bromoethyloxymethoxy)ethylsulfanyl]-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(2-bromoethyloxymethoxy)ethylsulfanyl]-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(2-bromoethoxymethoxy)ethylsulfanyl]-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1H-pyrimidin-4-one CAS Name: 2-[2-(2-bromoethoxymethoxy)ethylthio]-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2-bromoethoxymethoxy)ethylsulfanyl]-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1H-pyrimidin-4-one Traditional Name: 2-[2-(2-bromoethoxymethoxy)ethylthio]-6-(3,5-dimethylbenzyl)-5-ethyl-1H-pyrimidin-4-one Formula: C20H27BrN2O3S MolecularWeight: 455.40898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O3S/c1-4-17-18(12-16-10-14(2)9-15(3)11-16)22-20(23-19(17)24)27-8-7-26-13-25-6-5-21/h9-11H,4-8,12-13H2,1-3H3,(H,22,23,24)