3-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]propanoate IUPAC Name: 3-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(2-hydroxyethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]propionate Formula: C10H13N2O4S- MolecularWeight: 257.28622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCC(=O)[O-])CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCC(=O)[O-])CCO

InChI

InChI=1S/C10H14N2O4S/c1-6-7(2-4-13)9(16)12-10(11-6)17-5-3-8(14)15/h13H,2-5H2,1H3,(H,14,15)(H,11,12,16)/p-1