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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1C(NC(=S)NC1=O)C)C(=O)OCCC(C)C

Isomeric SMILES

CCCCC(C1C(NC(=S)NC1=O)C)C(=O)OCCC(C)C

InChI

InChI=1S/C16H28N2O3S/c1-5-6-7-12(15(20)21-9-8-10(2)3)13-11(4)17-16(22)18-14(13)19/h10-13H,5-9H2,1-4H3,(H2,17,18,19,22)