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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O4S/c1-3-4-5-6-19-12(18)8(2)7-9-10(16)14-13(20)15-11(9)17/h8-10,16H,3-7H2,1-2H3,(H2,14,15,17,20)