5-[(4-bromophenyl)methyl]-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-pentan-2-yl]sulfanyl-3,6-dimethyl-pyrimidin-4-one

Systemtic Name: 5-[(4-bromophenyl)methyl]-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-pentan-2-yl]sulfanyl-3,6-dimethyl-pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-2-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)butylsulfanyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopentan-2-yl]thio]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 5-[(4-bromophenyl)methyl]-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopentan-2-yl]sulfanyl-3,6-dimethylpyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-2-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)butylthio]-3,6-dimethyl-pyrimidin-4-one Formula: C27H30BrN3O2S MolecularWeight: 540.515

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=C(C(=O)N3C)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CCCC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=C(C(=O)N3C)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C27H30BrN3O2S/c1-4-7-24(26(33)31-15-14-20-8-5-6-9-21(20)17-31)34-27-29-18(2)23(25(32)30(27)3)16-19-10-12-22(28)13-11-19/h5-6,8-13,24H,4,7,14-17H2,1-3H3