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

Systemtic Name: 3-(2-butylsulfanyl-4-methyl-6-oxidanylidene-5H-pyrimidin-5-yl)propanoic acid Openeye Name: 3-(2-butylsulfanyl-4-methyl-6-oxo-5H-pyrimidin-5-yl)propanoic acid CAS Name: 3-[2-(butylthio)-4-methyl-6-oxo-5H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-(2-butylsulfanyl-4-methyl-6-oxo-5H-pyrimidin-5-yl)propanoic acid Traditional Name: 3-[2-(butylthio)-4-keto-6-methyl-5H-pyrimidin-5-yl]propionic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(C(=N1)C)CCC(=O)O

Isomeric SMILES

CCCCSC1=NC(=O)C(C(=N1)C)CCC(=O)O

InChI

InChI=1S/C12H18N2O3S/c1-3-4-7-18-12-13-8(2)9(11(17)14-12)5-6-10(15)16/h9H,3-7H2,1-2H3,(H,15,16)