2-[[4-methyl-5-(3-methylbutyl)-6-oxidanylidene-5H-pyrimidin-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 2-[[4-methyl-5-(3-methylbutyl)-6-oxidanylidene-5H-pyrimidin-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[(5-isopentyl-4-methyl-6-oxo-5H-pyrimidin-2-yl)sulfanyl]hexanoic acid CAS Name: 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-5H-pyrimidin-2-yl]thio]hexanoic acid IUPAC Name: 2-[[4-methyl-5-(3-methylbutyl)-6-oxo-5H-pyrimidin-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[(5-isoamyl-4-keto-6-methyl-5H-pyrimidin-2-yl)thio]hexanoic acid Formula: C16H26N2O3S MolecularWeight: 326.45424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3S/c1-5-6-7-13(15(20)21)22-16-17-11(4)12(14(19)18-16)9-8-10(2)3/h10,12-13H,5-9H2,1-4H3,(H,20,21)