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

Systemtic Name: 3-(4-fluorophenyl)-6-oxidanylidene-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Openeye Name: 3-(4-fluorophenyl)-6-oxo-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate CAS Name: 3-(4-fluorophenyl)-6-oxo-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinolate IUPAC Name: 3-(4-fluorophenyl)-6-oxo-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Traditional Name: 3-(4-fluorophenyl)-6-keto-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate Formula: C19H16FN3O2S MolecularWeight: 369.412643

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=CC=CC=C21)C3=C(N(C(=S)NC3=O)C4=CC=C(C=C4)F)[O-]

Isomeric SMILES

C1C[NH2+][C@@H](C2=CC=CC=C21)C3=C(N(C(=S)NC3=O)C4=CC=C(C=C4)F)[O-]

InChI

InChI=1S/C19H16FN3O2S/c20-12-5-7-13(8-6-12)23-18(25)15(17(24)22-19(23)26)16-14-4-2-1-3-11(14)9-10-21-16/h1-8,16,21,25H,9-10H2,(H,22,24,26)/t16-/m0/s1