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

Systemtic Name: octyl 2-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C18H30N2O4S MolecularWeight: 370.5068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O4S/c1-3-5-7-8-9-10-12-24-17(23)13(11-6-4-2)14-15(21)19-18(25)20-16(14)22/h13H,3-12H2,1-2H3,(H3,19,20,21,22,25)