3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-(2-amino-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[(2-amino-2-oxoethyl)thio]-4,6-dimethyl-5-pyrimidinyl]propanoic acid IUPAC Name: 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)thio]-4,6-dimethyl-pyrimidin-5-yl]propionic acid Formula: C11H15N3O3S MolecularWeight: 269.3201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)O

InChI

InChI=1S/C11H15N3O3S/c1-6-8(3-4-10(16)17)7(2)14-11(13-6)18-5-9(12)15/h3-5H2,1-2H3,(H2,12,15)(H,16,17)