5-butyl-4-oxidanyl-2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-butyl-4-oxidanyl-2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-1H-pyrimidin-6-one Openeye Name: 5-butyl-4-hydroxy-2-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 5-butyl-4-hydroxy-2-[(2-oxo-2-thiophen-2-ylethyl)thio]-1H-pyrimidin-6-one IUPAC Name: 5-butyl-4-hydroxy-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one Traditional Name: 5-butyl-4-hydroxy-2-[[2-keto-2-(2-thienyl)ethyl]thio]-1H-pyrimidin-6-one Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SCC(=O)C2=CC=CS2)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SCC(=O)C2=CC=CS2)O

InChI

InChI=1S/C14H16N2O3S2/c1-2-3-5-9-12(18)15-14(16-13(9)19)21-8-10(17)11-6-4-7-20-11/h4,6-7H,2-3,5,8H2,1H3,(H2,15,16,18,19)