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

Systemtic Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-ethanoyl-2-methylsulfanyl-6-oxidanyl-pyrimidin-4-one Openeye Name: 1-acetyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-methylsulfanyl-pyrimidin-4-one CAS Name: 1-acetyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-(methylthio)-4-pyrimidinone IUPAC Name: 1-acetyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-methylsulfanylpyrimidin-4-one Traditional Name: 1-acetyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-(methylthio)pyrimidin-4-one Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C(C(=O)N=C1SC)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)O

Isomeric SMILES

CC(=O)N1C(=C(C(=O)N=C1SC)[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)O

InChI

InChI=1S/C18H21N3O5S/c1-9(22)21-17(24)14(16(23)20-18(21)27-4)15-11-8-13(26-3)12(25-2)7-10(11)5-6-19-15/h7-8,15,19,24H,5-6H2,1-4H3/p+1/t15-/m0/s1