3-pyrimidin-2-ylsulfanylpentane-2,4-dione

Systemtic Name: 3-pyrimidin-2-ylsulfanylpentane-2,4-dione Openeye Name: 3-pyrimidin-2-ylsulfanylpentane-2,4-dione CAS Name: 3-(2-pyrimidinylthio)pentane-2,4-dione IUPAC Name: 3-pyrimidin-2-ylsulfanylpentane-2,4-dione Traditional Name: 3-(2-pyrimidylthio)pentane-2,4-dione Formula: C9H10N2O2S MolecularWeight: 210.2529

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC=CC=N1

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC=CC=N1

InChI

InChI=1S/C9H10N2O2S/c1-6(12)8(7(2)13)14-9-10-4-3-5-11-9/h3-5,8H,1-2H3