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

Systemtic Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(3-methoxyphenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-(3-methoxyphenyl)-2-thioxo-pyrimidin-4-one CAS Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-(3-methoxyphenyl)-2-thioxo-pyrimidin-4-one Formula: C22H24N3O5S+ MolecularWeight: 442.50806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=C(C(=O)NC2=S)C3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=C(C(=O)NC2=S)[C@@H]3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)O

InChI

InChI=1S/C22H23N3O5S/c1-28-14-6-4-5-13(10-14)25-21(27)18(20(26)24-22(25)31)19-15-11-17(30-3)16(29-2)9-12(15)7-8-23-19/h4-6,9-11,19,23,27H,7-8H2,1-3H3,(H,24,26,31)/p+1/t19-/m0/s1