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

Systemtic Name: butyl 2-methyl-3-(4-oxidanyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)propanoate Openeye Name: butyl 3-(4-hydroxy-6-oxo-2-thioxo-hexahydropyrimidin-5-yl)-2-methyl-propanoate CAS Name: 3-(4-hydroxy-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-methylpropanoic acid butyl ester IUPAC Name: butyl 3-(4-hydroxy-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-methylpropanoate Traditional Name: 3-(4-hydroxy-6-keto-2-thioxo-hexahydropyrimidin-5-yl)-2-methyl-propionic acid butyl ester Formula: C12H20N2O4S MolecularWeight: 288.3632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)CC1C(NC(=S)NC1=O)O

Isomeric SMILES

CCCCOC(=O)C(C)CC1C(NC(=S)NC1=O)O

InChI

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