6-oxidanyl-1,3-diphenyl-2-sulfanylidene-5-[2-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethanoyl]pyrimidin-4-one

Systemtic Name: 6-oxidanyl-1,3-diphenyl-2-sulfanylidene-5-[2-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethanoyl]pyrimidin-4-one Openeye Name: 6-hydroxy-1,3-diphenyl-5-[2-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetyl]-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-5-[1-oxo-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethyl]-1,3-diphenyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-hydroxy-1,3-diphenyl-2-sulfanylidene-5-[2-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetyl]pyrimidin-4-one Traditional Name: 6-hydroxy-1,3-diphenyl-5-[2-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetyl]-2-thioxo-pyrimidin-4-one Formula: C27H24N3O3S+ MolecularWeight: 470.56276

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H23N3O3S/c31-23(17-22-21-14-8-7-9-18(21)15-16-28-22)24-25(32)29(19-10-3-1-4-11-19)27(34)30(26(24)33)20-12-5-2-6-13-20/h1-14,22,28,32H,15-17H2/p+1/t22-/m1/s1