1-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-oxidanyl-3-phenyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-oxidanyl-3-phenyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-phenyl-2-thioxo-pyrimidin-4-one CAS Name: 1-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-phenyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-phenyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-phenyl-2-thioxo-pyrimidin-4-one Formula: C27H24BrN3O4S MolecularWeight: 566.46616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)C3=C(N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)O)OC

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)C3=C(N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)O)OC

InChI

InChI=1S/C27H24BrN3O4S/c1-34-21-14-16-12-13-29-24(20(16)15-22(21)35-2)23-25(32)30(18-6-4-3-5-7-18)27(36)31(26(23)33)19-10-8-17(28)9-11-19/h3-11,14-15,24,29,33H,12-13H2,1-2H3