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

Systemtic Name: 2-[3-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]propyl]isoindoline-1,3-quinone Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C28H23N3O3S/c32-25-18-24(21-12-5-2-6-13-21)29-28(35-19-20-10-3-1-4-11-20)30(25)16-9-17-31-26(33)22-14-7-8-15-23(22)27(31)34/h1-8,10-15,18H,9,16-17,19H2