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

Systemtic Name: 2-[4-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]butyl]isoindoline-1,3-quinone Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CCCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3S/c33-26-19-25(22-13-5-2-6-14-22)30-29(36-20-21-11-3-1-4-12-21)31(26)17-9-10-18-32-27(34)23-15-7-8-16-24(23)28(32)35/h1-8,11-16,19H,9-10,17-18,20H2