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

Systemtic Name: methyl 4-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C9H14N2O4S MolecularWeight: 246.28346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N2O4S/c1-15-6(12)4-2-3-5-7(13)10-9(16)11-8(5)14/h5,7,13H,2-4H2,1H3,(H2,10,11,14,16)