3-(4-methyl-6-oxidanylidene-2-pentylsulfanyl-5H-pyrimidin-5-yl)propanoic acid

Systemtic Name: 3-(4-methyl-6-oxidanylidene-2-pentylsulfanyl-5H-pyrimidin-5-yl)propanoic acid Openeye Name: 3-(4-methyl-6-oxo-2-pentylsulfanyl-5H-pyrimidin-5-yl)propanoic acid CAS Name: 3-[4-methyl-6-oxo-2-(pentylthio)-5H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-(4-methyl-6-oxo-2-pentylsulfanyl-5H-pyrimidin-5-yl)propanoic acid Traditional Name: 3-[2-(amylthio)-4-keto-6-methyl-5H-pyrimidin-5-yl]propionic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(C(=N1)C)CCC(=O)O

Isomeric SMILES

CCCCCSC1=NC(=O)C(C(=N1)C)CCC(=O)O

InChI

InChI=1S/C13H20N2O3S/c1-3-4-5-8-19-13-14-9(2)10(12(18)15-13)6-7-11(16)17/h10H,3-8H2,1-2H3,(H,16,17)