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

Systemtic Name: 2-[3-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]propyl]isoindoline-1,3-quinone Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=O)N1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=O)N1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-29-22-23-18(15-8-3-2-4-9-15)14-19(26)24(22)12-7-13-25-20(27)16-10-5-6-11-17(16)21(25)28/h2-6,8-11,14H,7,12-13H2,1H3