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

Systemtic Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanyl-1,3-diphenyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1,3-diphenyl-2-thioxo-pyrimidin-4-one CAS Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1,3-diphenyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1,3-diphenyl-2-thioxo-pyrimidin-4-one Formula: C27H26N3O4S+ MolecularWeight: 488.57804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=C(N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)O)OC

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=C(N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)O)OC

InChI

InChI=1S/C27H25N3O4S/c1-33-21-15-17-13-14-28-24(20(17)16-22(21)34-2)23-25(31)29(18-9-5-3-6-10-18)27(35)30(26(23)32)19-11-7-4-8-12-19/h3-12,15-16,24,28,31H,13-14H2,1-2H3/p+1/t24-/m1/s1