5-[[4-[2-(4-methyl-6-oxidanylidene-2-propyl-1H-pyrimidin-3-ium-3-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[[4-[2-(4-methyl-6-oxidanylidene-2-propyl-1H-pyrimidin-3-ium-3-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[[4-[2-(4-methyl-6-oxo-2-propyl-1H-pyrimidin-3-ium-3-yl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione CAS Name: 5-[[4-[2-(4-methyl-6-oxo-2-propyl-1H-pyrimidin-3-ium-3-yl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione IUPAC Name: 5-[[4-[2-(4-methyl-6-oxo-2-propyl-1H-pyrimidin-3-ium-3-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-[4-[2-(6-keto-4-methyl-2-propyl-1H-pyrimidin-3-ium-3-yl)ethoxy]benzyl]thiazolidine-2,4-quinone Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C(=CC(=O)N1)C)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3

Isomeric SMILES

CCCC1=[N+](C(=CC(=O)N1)C)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3

InChI

InChI=1S/C20H23N3O4S/c1-3-4-17-21-18(24)11-13(2)23(17)9-10-27-15-7-5-14(6-8-15)12-16-19(25)22-20(26)28-16/h5-8,11,16H,3-4,9-10,12H2,1-2H3,(H,22,25,26)/p+1