2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylhexanoic acid

Systemtic Name: 2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylhexanoic acid Openeye Name: 2-(4-ethyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanylhexanoic acid CAS Name: 2-[(4-ethyl-1-methyl-6-oxo-2-pyrimidinyl)thio]hexanoic acid IUPAC Name: 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylhexanoic acid Traditional Name: 2-[(4-ethyl-6-keto-1-methyl-pyrimidin-2-yl)thio]hexanoic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC(=CC(=O)N1C)CC

Isomeric SMILES

CCCCC(C(=O)O)SC1=NC(=CC(=O)N1C)CC

InChI

InChI=1S/C13H20N2O3S/c1-4-6-7-10(12(17)18)19-13-14-9(5-2)8-11(16)15(13)3/h8,10H,4-7H2,1-3H3,(H,17,18)