5-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanoic acid

Systemtic Name: 5-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanoic acid Openeye Name: 5-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanoic acid CAS Name: 5-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]pentanoic acid IUPAC Name: 5-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanoic acid Traditional Name: 5-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]valeric acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3S/c1-2-5-9-8-10(15)14-12(13-9)18-7-4-3-6-11(16)17/h8H,2-7H2,1H3,(H,16,17)(H,13,14,15)