3-[[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methylthio]propanoic acid IUPAC Name: 3-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methylthio]propionic acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CSCCC(=O)O)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CSCCC(=O)O)O

InChI

InChI=1S/C13H18N2O6S/c1-7-5-15(13(20)14-12(7)19)10-4-8(16)9(21-10)6-22-3-2-11(17)18/h5,8-10,16H,2-4,6H2,1H3,(H,17,18)(H,14,19,20)