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

Systemtic Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-3-(2,4-dimethylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-3-(2,4-dimethylphenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-3-(2,4-dimethylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-3-(2,4-dimethylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-3-(2,4-dimethylphenyl)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C(=O)NC2=S)C3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C(=O)NC2=S)C3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)[O-])C

InChI

InChI=1S/C23H25N3O4S/c1-12-5-6-16(13(2)9-12)26-22(28)19(21(27)25-23(26)31)20-15-11-18(30-4)17(29-3)10-14(15)7-8-24-20/h5-6,9-11,20,24,28H,7-8H2,1-4H3,(H,25,27,31)