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

Systemtic Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-ethanoyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-acetyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methylsulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-acetyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-(methylthio)-6-oxo-4-pyrimidinolate IUPAC Name: 3-acetyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methylsulfanyl-6-oxopyrimidin-4-olate Traditional Name: 3-acetyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-keto-2-(methylthio)pyrimidin-4-olate Formula: C18H21N3O5S MolecularWeight: 391.44144

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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/t15-/m0/s1