hexyl 2-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoate

Systemtic Name: hexyl 2-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoate Openeye Name: hexyl 2-(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)hexanoate CAS Name: 2-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoic acid hexyl ester IUPAC Name: hexyl 2-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoate Traditional Name: 2-(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)hexanoic acid hexyl ester Formula: C16H26N2O4S MolecularWeight: 342.45364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CCCC)C1=C(NC(=S)NC1=O)O

Isomeric SMILES

CCCCCCOC(=O)C(CCCC)C1=C(NC(=S)NC1=O)O

InChI

InChI=1S/C16H26N2O4S/c1-3-5-7-8-10-22-15(21)11(9-6-4-2)12-13(19)17-16(23)18-14(12)20/h11H,3-10H2,1-2H3,(H3,17,18,19,20,23)