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

Systemtic Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanyl-1-phenethyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-phenethyl-2-thioxo-pyrimidin-4-one CAS Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-phenethyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-phenethyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-phenethyl-2-thioxo-pyrimidin-4-one Formula: C23H26N3O4S+ MolecularWeight: 440.53524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=C(N(C(=S)NC3=O)CCC4=CC=CC=C4)O)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=C(N(C(=S)NC3=O)CCC4=CC=CC=C4)O)OC

InChI

InChI=1S/C23H25N3O4S/c1-29-17-12-15-8-10-24-20(16(15)13-18(17)30-2)19-21(27)25-23(31)26(22(19)28)11-9-14-6-4-3-5-7-14/h3-7,12-13,20,24,28H,8-11H2,1-2H3,(H,25,27,31)/p+1/t20-/m0/s1