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

Systemtic Name: 2-[2-(2-bromoethyloxymethoxy)ethylsulfanyl]-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 2-[2-(2-bromoethoxymethoxy)ethylsulfanyl]-6-[(3,5-dimethylphenyl)methyl]-5-isopropyl-1H-pyrimidin-4-one CAS Name: 2-[2-(2-bromoethoxymethoxy)ethylthio]-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2-bromoethoxymethoxy)ethylsulfanyl]-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 2-[2-(2-bromoethoxymethoxy)ethylthio]-6-(3,5-dimethylbenzyl)-5-isopropyl-1H-pyrimidin-4-one Formula: C21H29BrN2O3S MolecularWeight: 469.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC2=C(C(=O)N=C(N2)SCCOCOCCBr)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC2=C(C(=O)N=C(N2)SCCOCOCCBr)C(C)C)C

InChI

InChI=1S/C21H29BrN2O3S/c1-14(2)19-18(12-17-10-15(3)9-16(4)11-17)23-21(24-20(19)25)28-8-7-27-13-26-6-5-22/h9-11,14H,5-8,12-13H2,1-4H3,(H,23,24,25)