5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-6-oxidanylidene-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-6-oxidanylidene-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-3-isopropyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-6-oxo-3-propan-2-yl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-6-oxo-3-propan-2-yl-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-3-isopropyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=O)NC1=S)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)[O-]

Isomeric SMILES

CC(C)N1C(=C(C(=O)NC1=S)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)[O-]

InChI

InChI=1S/C18H23N3O4S/c1-9(2)21-17(23)14(16(22)20-18(21)26)15-11-8-13(25-4)12(24-3)7-10(11)5-6-19-15/h7-9,15,19,23H,5-6H2,1-4H3,(H,20,22,26)