2-[2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]ethyl]isoindoline-1,3-quinone Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O3S/c31-24-17-23(20-11-5-2-6-12-20)28-27(34-18-19-9-3-1-4-10-19)29(24)15-16-30-25(32)21-13-7-8-14-22(21)26(30)33/h1-14,17H,15-16,18H2