hexyl 4-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)butanoate

Systemtic Name: hexyl 4-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)butanoate Openeye Name: hexyl 4-(4-hydroxy-6-oxo-2-thioxo-hexahydropyrimidin-5-yl)butanoate CAS Name: 4-(4-hydroxy-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)butanoic acid hexyl ester IUPAC Name: hexyl 4-(4-hydroxy-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)butanoate Traditional Name: 4-(4-hydroxy-6-keto-2-thioxo-hexahydropyrimidin-5-yl)butyric acid hexyl ester Formula: C14H24N2O4S MolecularWeight: 316.41636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCC1C(NC(=S)NC1=O)O

Isomeric SMILES

CCCCCCOC(=O)CCCC1C(NC(=S)NC1=O)O

InChI

InChI=1S/C14H24N2O4S/c1-2-3-4-5-9-20-11(17)8-6-7-10-12(18)15-14(21)16-13(10)19/h10,12,18H,2-9H2,1H3,(H2,15,16,19,21)