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

Systemtic Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-(2-methylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-(o-tolyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-(2-methylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-(2-methylphenyl)-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-(o-tolyl)-2-thioxo-pyrimidin-4-olate Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=O)NC2=S)[C@H]3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)[O-]

InChI

InChI=1S/C22H23N3O4S/c1-12-6-4-5-7-15(12)25-21(27)18(20(26)24-22(25)30)19-14-11-17(29-3)16(28-2)10-13(14)8-9-23-19/h4-7,10-11,19,23,27H,8-9H2,1-3H3,(H,24,26,30)/t19-/m1/s1