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

Systemtic Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-ethyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-ethyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-ethyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-ethyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-ethyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C17H21N3O4S MolecularWeight: 363.43134

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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)/t14-/m0/s1