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

Systemtic Name: 2-phenoxyethyl 2-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)hexanoate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(NC(=S)NC1=O)O)C(=O)OCCOC2=CC=CC=C2

Isomeric SMILES

CCCCC(C1=C(NC(=S)NC1=O)O)C(=O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O5S/c1-2-3-9-13(14-15(21)19-18(26)20-16(14)22)17(23)25-11-10-24-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H3,19,20,21,22,26)