2-[[5-(2-ethoxyethyl)-4-methyl-6-oxidanylidene-5H-pyrimidin-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 2-[[5-(2-ethoxyethyl)-4-methyl-6-oxidanylidene-5H-pyrimidin-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[[5-(2-ethoxyethyl)-4-methyl-6-oxo-5H-pyrimidin-2-yl]sulfanyl]hexanoic acid CAS Name: 2-[[5-(2-ethoxyethyl)-4-methyl-6-oxo-5H-pyrimidin-2-yl]thio]hexanoic acid IUPAC Name: 2-[[5-(2-ethoxyethyl)-4-methyl-6-oxo-5H-pyrimidin-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[5-(2-ethoxyethyl)-4-keto-6-methyl-5H-pyrimidin-2-yl]thio]hexanoic acid Formula: C15H24N2O4S MolecularWeight: 328.42706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC(=O)C(C(=N1)C)CCOCC

Isomeric SMILES

CCCCC(C(=O)O)SC1=NC(=O)C(C(=N1)C)CCOCC

InChI

InChI=1S/C15H24N2O4S/c1-4-6-7-12(14(19)20)22-15-16-10(3)11(13(18)17-15)8-9-21-5-2/h11-12H,4-9H2,1-3H3,(H,19,20)