6-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid

Systemtic Name: 6-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid Openeye Name: 6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid CAS Name: 6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]hexanoic acid IUPAC Name: 6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid Traditional Name: 6-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]hexanoic acid Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCCCCC(=O)O

InChI

InChI=1S/C11H16N2O3S/c1-8-7-9(14)13-11(12-8)17-6-4-2-3-5-10(15)16/h7H,2-6H2,1H3,(H,15,16)(H,12,13,14)