3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-oxidanyl-pent-3-en-2-one; perchloric acid

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-oxidanyl-pent-3-en-2-one; perchloric acid Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-hydroxy-pent-3-en-2-one; perchloric acid CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-hydroxy-3-penten-2-one; perchloric acid IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-hydroxypent-3-en-2-one; perchloric acid Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-hydroxy-pent-3-en-2-one; perchloric acid Formula: C11H15ClN2O6S MolecularWeight: 338.7646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=C(C)O)C(=O)C)C.OCl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=C(C)O)C(=O)C)C.OCl(=O)(=O)=O

InChI

InChI=1S/C11H14N2O2S.ClHO4/c1-6-5-7(2)13-11(12-6)16-10(8(3)14)9(4)15;2-1(3,4)5/h5,14H,1-4H3;(H,2,3,4,5)