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

Systemtic Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-ethyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-ethyl-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-ethyl-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-ethyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-ethyl-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C17H22N3O4S+ MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)NC1=S)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)O

Isomeric SMILES

CCN1C(=C(C(=O)NC1=S)[C@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)O

InChI

InChI=1S/C17H21N3O4S/c1-4-20-16(22)13(15(21)19-17(20)25)14-10-8-12(24-3)11(23-2)7-9(10)5-6-18-14/h7-8,14,18,22H,4-6H2,1-3H3,(H,19,21,25)/p+1/t14-/m1/s1