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

Systemtic Name: 6-oxidanylidene-1,3-diphenyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Openeye Name: 6-oxo-1,3-diphenyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate CAS Name: 6-oxo-1,3-diphenyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinolate IUPAC Name: 6-oxo-1,3-diphenyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Traditional Name: 6-keto-1,3-diphenyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=CC=CC=C21)C3=C(N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

C1C[NH2+][C@@H](C2=CC=CC=C21)C3=C(N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C25H21N3O2S/c29-23-21(22-20-14-8-7-9-17(20)15-16-26-22)24(30)28(19-12-5-2-6-13-19)25(31)27(23)18-10-3-1-4-11-18/h1-14,22,26,29H,15-16H2/t22-/m0/s1