1-(4-bromophenyl)-5-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(4-bromophenyl)-5-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-bromophenyl)-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-bromophenyl)-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-bromophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-bromophenyl)-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=S)NC3=O)C4=CC=C(C=C4)Br)O

Isomeric SMILES

CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=S)NC3=O)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C21H18BrN3O3S/c1-12(26)24-11-10-13-4-2-3-5-16(13)18(24)17-19(27)23-21(29)25(20(17)28)15-8-6-14(22)7-9-15/h2-9,18,28H,10-11H2,1H3,(H,23,27,29)