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

Systemtic Name: pentyl 2-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C15H24N2O4S MolecularWeight: 328.42706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CCCC)C1=C(NC(=S)NC1=O)O

Isomeric SMILES

CCCCCOC(=O)C(CCCC)C1=C(NC(=S)NC1=O)O

InChI

InChI=1S/C15H24N2O4S/c1-3-5-7-9-21-14(20)10(8-6-4-2)11-12(18)16-15(22)17-13(11)19/h10H,3-9H2,1-2H3,(H3,16,17,18,19,22)