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

Systemtic Name: pentyl 2-(4-methyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)hexanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C16H28N2O3S MolecularWeight: 328.47012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O3S/c1-4-6-8-10-21-15(20)12(9-7-5-2)13-11(3)17-16(22)18-14(13)19/h11-13H,4-10H2,1-3H3,(H2,17,18,19,22)