3-[[5-butyl-4,6-bis(oxidanylidene)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[5-butyl-4,6-bis(oxidanylidene)-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[(5-butyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(5-butyl-4,6-dioxo-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(5-butyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-butyl-4,6-diketo-1H-pyrimidin-2-yl)thio]propionic acid Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NC(=NC1=O)SCCC(=O)O

Isomeric SMILES

CCCCC1C(=O)NC(=NC1=O)SCCC(=O)O

InChI

InChI=1S/C11H16N2O4S/c1-2-3-4-7-9(16)12-11(13-10(7)17)18-6-5-8(14)15/h7H,2-6H2,1H3,(H,14,15)(H,12,13,16,17)