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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O4S/c1-7(2)6-18-9(15)5-3-4-8-10(16)13-12(19)14-11(8)17/h7-8,10,16H,3-6H2,1-2H3,(H2,13,14,17,19)