1-(4-bromophenyl)-5-(2-ethanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6-oxidanyl-3-phenyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(4-bromophenyl)-5-(2-ethanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6-oxidanyl-3-phenyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-bromophenyl)-6-hydroxy-3-phenyl-2-thioxo-pyrimidin-4-one CAS Name: 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-bromophenyl)-6-hydroxy-3-phenyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-bromophenyl)-6-hydroxy-3-phenyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-bromophenyl)-6-hydroxy-3-phenyl-2-thioxo-pyrimidin-4-one Formula: C29H26BrN3O5S MolecularWeight: 608.50284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C2C1C3=C(N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)O)OC)OC

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C2C1C3=C(N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)O)OC)OC

InChI

InChI=1S/C29H26BrN3O5S/c1-17(34)31-14-13-18-15-23(37-2)24(38-3)16-22(18)26(31)25-27(35)32(20-7-5-4-6-8-20)29(39)33(28(25)36)21-11-9-19(30)10-12-21/h4-12,15-16,26,36H,13-14H2,1-3H3