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

Systemtic Name: 3-(2-chlorophenyl)-6-oxidanylidene-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Openeye Name: 3-(2-chlorophenyl)-6-oxo-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate CAS Name: 3-(2-chlorophenyl)-6-oxo-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinolate IUPAC Name: 3-(2-chlorophenyl)-6-oxo-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Traditional Name: 3-(2-chlorophenyl)-6-keto-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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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=CC=C4Cl)[O-]

Isomeric SMILES

C1C[NH2+][C@@H](C2=CC=CC=C21)C3=C(N(C(=S)NC3=O)C4=CC=CC=C4Cl)[O-]

InChI

InChI=1S/C19H16ClN3O2S/c20-13-7-3-4-8-14(13)23-18(25)15(17(24)22-19(23)26)16-12-6-2-1-5-11(12)9-10-21-16/h1-8,16,21,25H,9-10H2,(H,22,24,26)/t16-/m0/s1