2-[(4-bromophenyl)methylsulfanyl]-1-(2,6-diethylphenyl)-6-oxidanyl-pyrimidin-4-one

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-1-(2,6-diethylphenyl)-6-oxidanyl-pyrimidin-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-1-(2,6-diethylphenyl)-6-hydroxy-pyrimidin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-1-(2,6-diethylphenyl)-6-hydroxy-4-pyrimidinone IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-1-(2,6-diethylphenyl)-6-hydroxypyrimidin-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-1-(2,6-diethylphenyl)-6-hydroxy-pyrimidin-4-one Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=CC(=O)N=C2SCC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=CC(=O)N=C2SCC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H21BrN2O2S/c1-3-15-6-5-7-16(4-2)20(15)24-19(26)12-18(25)23-21(24)27-13-14-8-10-17(22)11-9-14/h5-12,26H,3-4,13H2,1-2H3