3-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-4,6-dimethyl-2-oxidanylidene-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-4,6-dimethyl-2-oxidanylidene-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[1-(1,1-dioxothiolan-3-yl)-4,6-dimethyl-2-oxo-pyrimidin-5-yl]propanoic acid CAS Name: 3-[1-(1,1-dioxo-3-thiolanyl)-4,6-dimethyl-2-oxo-5-pyrimidinyl]propanoic acid IUPAC Name: 3-[1-(1,1-dioxothiolan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid Traditional Name: 3-[1-(1,1-diketothiolan-3-yl)-2-keto-4,6-dimethyl-pyrimidin-5-yl]propionic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1C2CCS(=O)(=O)C2)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1C2CCS(=O)(=O)C2)C)CCC(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-8-11(3-4-12(16)17)9(2)15(13(18)14-8)10-5-6-21(19,20)7-10/h10H,3-7H2,1-2H3,(H,16,17)