1-(4-bromophenyl)-6-oxidanyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one

Systemtic Name: 1-(4-bromophenyl)-6-oxidanyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Openeye Name: 1-(4-bromophenyl)-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one CAS Name: 1-(4-bromophenyl)-6-hydroxy-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinone IUPAC Name: 1-(4-bromophenyl)-6-hydroxy-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Traditional Name: 1-(4-bromophenyl)-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one Formula: C19H17BrN3O2S+ MolecularWeight: 431.32618

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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)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O2S/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)/p+1/t16-/m0/s1