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

Systemtic Name: 2-[4-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]butyl]isoindoline-1,3-quinone Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=O)N1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=O)N1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S/c1-30-23-24-19(16-9-3-2-4-10-16)15-20(27)25(23)13-7-8-14-26-21(28)17-11-5-6-12-18(17)22(26)29/h2-6,9-12,15H,7-8,13-14H2,1H3