2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(CC)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(CC)C(=O)O

InChI

InChI=1S/C11H16N2O3S/c1-3-5-7-6-9(14)13-11(12-7)17-8(4-2)10(15)16/h6,8H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)