hexyl 3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate

Systemtic Name: hexyl 3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate Openeye Name: hexyl 3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid hexyl ester IUPAC Name: hexyl 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(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)CCC1=C(NC(=S)NC1=O)C

Isomeric SMILES

CCCCCCOC(=O)CCC1=C(NC(=S)NC1=O)C

InChI

InChI=1S/C14H22N2O3S/c1-3-4-5-6-9-19-12(17)8-7-11-10(2)15-14(20)16-13(11)18/h3-9H2,1-2H3,(H2,15,16,18,20)