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

Systemtic Name: 2-[2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]ethyl]isoindoline-1,3-quinone Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

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