hexyl (2R)-2-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate

Systemtic Name: hexyl (2R)-2-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate Openeye Name: hexyl (2R)-2-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanoate CAS Name: (2R)-2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid hexyl ester IUPAC Name: hexyl (2R)-2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate Traditional Name: (2R)-2-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propionic acid hexyl ester Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C)C1=C(NC(=S)NC1=O)C

Isomeric SMILES

CCCCCCOC(=O)[C@H](C)C1=C(NC(=S)NC1=O)C

InChI

InChI=1S/C14H22N2O3S/c1-4-5-6-7-8-19-13(18)9(2)11-10(3)15-14(20)16-12(11)17/h9H,4-8H2,1-3H3,(H2,15,16,17,20)/t9-/m1/s1