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

Systemtic Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(4-ethoxyphenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(4-ethoxyphenyl)-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(4-ethoxyphenyl)-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(4-ethoxyphenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-p-phenetyl-2-thioxo-pyrimidin-4-one Formula: C23H26N3O5S+ MolecularWeight: 456.53464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)[C@@H]3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)O

InChI

InChI=1S/C23H25N3O5S/c1-4-31-15-7-5-14(6-8-15)26-22(28)19(21(27)25-23(26)32)20-16-12-18(30-3)17(29-2)11-13(16)9-10-24-20/h5-8,11-12,20,24,28H,4,9-10H2,1-3H3,(H,25,27,32)/p+1/t20-/m0/s1