2-methylpropyl 2-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoate

Systemtic Name: 2-methylpropyl 2-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoate Openeye Name: isobutyl 2-(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)hexanoate CAS Name: 2-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoate Traditional Name: 2-(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)hexanoic acid isobutyl ester Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(NC(=S)NC1=O)O)C(=O)OCC(C)C

Isomeric SMILES

CCCCC(C1=C(NC(=S)NC1=O)O)C(=O)OCC(C)C

InChI

InChI=1S/C14H22N2O4S/c1-4-5-6-9(13(19)20-7-8(2)3)10-11(17)15-14(21)16-12(10)18/h8-9H,4-7H2,1-3H3,(H3,15,16,17,18,21)