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

Systemtic Name: pentyl 4-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)butanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O4S/c1-2-3-4-8-19-10(16)7-5-6-9-11(17)14-13(20)15-12(9)18/h9,11,17H,2-8H2,1H3,(H2,14,15,18,20)