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

Systemtic Name: 2-[4-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]butyl]isoindoline-1,3-quinone Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H23N3O3S/c1-17-15-21(28)26(24(25-17)31-16-18-9-3-2-4-10-18)13-7-8-14-27-22(29)19-11-5-6-12-20(19)23(27)30/h2-6,9-12,15H,7-8,13-14,16H2,1H3