1-(4-bromophenyl)-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(4-bromophenyl)-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(4-bromophenyl)-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 1-(4-bromophenyl)-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(4-bromophenyl)-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(4-bromophenyl)-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C21H21BrN3O4S+ MolecularWeight: 491.37814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=C(N(C(=S)NC3=O)C4=CC=C(C=C4)Br)O)OC

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=C(N(C(=S)NC3=O)C4=CC=C(C=C4)Br)O)OC

InChI

InChI=1S/C21H20BrN3O4S/c1-28-15-9-11-7-8-23-18(14(11)10-16(15)29-2)17-19(26)24-21(30)25(20(17)27)13-5-3-12(22)4-6-13/h3-6,9-10,18,23,27H,7-8H2,1-2H3,(H,24,26,30)/p+1/t18-/m1/s1