5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-methyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-methyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-methyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-methyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-methyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-keto-3-methyl-2-thioxo-pyrimidin-4-olate Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=S)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)[O-]

Isomeric SMILES

CN1C(=C(C(=O)NC1=S)[C@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-19-15(21)12(14(20)18-16(19)24)13-9-7-11(23-3)10(22-2)6-8(9)4-5-17-13/h6-7,13,17,21H,4-5H2,1-3H3,(H,18,20,24)/t13-/m1/s1