5-[[4-[2-(4-methyl-6-oxidanylidene-2-propyl-pyrimidin-1-yl)ethoxy]phenyl]methyl]thiolane-2,4-dione

Systemtic Name: 5-[[4-[2-(4-methyl-6-oxidanylidene-2-propyl-pyrimidin-1-yl)ethoxy]phenyl]methyl]thiolane-2,4-dione Openeye Name: 5-[[4-[2-(4-methyl-6-oxo-2-propyl-pyrimidin-1-yl)ethoxy]phenyl]methyl]tetrahydrothiophene-2,4-dione CAS Name: 5-[[4-[2-(4-methyl-6-oxo-2-propyl-1-pyrimidinyl)ethoxy]phenyl]methyl]thiolane-2,4-dione IUPAC Name: 5-[[4-[2-(4-methyl-6-oxo-2-propylpyrimidin-1-yl)ethoxy]phenyl]methyl]thiolane-2,4-dione Traditional Name: 5-[4-[2-(6-keto-4-methyl-2-propyl-pyrimidin-1-yl)ethoxy]benzyl]tetrahydrothiophene-2,4-quinone Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CC(=O)N1CCOC2=CC=C(C=C2)CC3C(=O)CC(=O)S3)C

Isomeric SMILES

CCCC1=NC(=CC(=O)N1CCOC2=CC=C(C=C2)CC3C(=O)CC(=O)S3)C

InChI

InChI=1S/C21H24N2O4S/c1-3-4-19-22-14(2)11-20(25)23(19)9-10-27-16-7-5-15(6-8-16)12-18-17(24)13-21(26)28-18/h5-8,11,18H,3-4,9-10,12-13H2,1-2H3