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

Systemtic Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanylidene-1,3-diphenyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxo-1,3-diphenyl-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxo-1,3-diphenyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-keto-1,3-diphenyl-2-thioxo-pyrimidin-4-olate Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=C(N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)[O-])OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=C(N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)[O-])OC

InChI

InChI=1S/C27H25N3O4S/c1-33-21-15-17-13-14-28-24(20(17)16-22(21)34-2)23-25(31)29(18-9-5-3-6-10-18)27(35)30(26(23)32)19-11-7-4-8-12-19/h3-12,15-16,24,28,31H,13-14H2,1-2H3/t24-/m0/s1