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

Systemtic Name: 2-[4-(4-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-methyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-methyl-2-(methylthio)-6-oxo-1-pyrimidinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-[6-keto-4-methyl-2-(methylthio)pyrimidin-1-yl]butyl]isoindoline-1,3-quinone Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SC)CCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SC)CCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H19N3O3S/c1-12-11-15(22)20(18(19-12)25-2)9-5-6-10-21-16(23)13-7-3-4-8-14(13)17(21)24/h3-4,7-8,11H,5-6,9-10H2,1-2H3