hexyl 2-(4-methyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)hexanoate

Systemtic Name: hexyl 2-(4-methyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)hexanoate Openeye Name: hexyl 2-(4-methyl-6-oxo-2-thioxo-hexahydropyrimidin-5-yl)hexanoate CAS Name: 2-(4-methyl-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)hexanoic acid hexyl ester IUPAC Name: hexyl 2-(4-methyl-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)hexanoate Traditional Name: 2-(4-keto-6-methyl-2-thioxo-hexahydropyrimidin-5-yl)hexanoic acid hexyl ester Formula: C17H30N2O3S MolecularWeight: 342.4967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CCCC)C1C(NC(=S)NC1=O)C

Isomeric SMILES

CCCCCCOC(=O)C(CCCC)C1C(NC(=S)NC1=O)C

InChI

InChI=1S/C17H30N2O3S/c1-4-6-8-9-11-22-16(21)13(10-7-5-2)14-12(3)18-17(23)19-15(14)20/h12-14H,4-11H2,1-3H3,(H2,18,19,20,23)