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

Systemtic Name: butyl 4-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)butanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C12H20N2O4S MolecularWeight: 288.3632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O4S/c1-2-3-7-18-9(15)6-4-5-8-10(16)13-12(19)14-11(8)17/h8,10,16H,2-7H2,1H3,(H2,13,14,17,19)