3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pentane-2,4-dione Openeye Name: 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pentane-2,4-dione CAS Name: 3-[(6-oxo-1H-pyrimidin-2-yl)thio]pentane-2,4-dione IUPAC Name: 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pentane-2,4-dione Traditional Name: 3-[(6-keto-1H-pyrimidin-2-yl)thio]pentane-2,4-dione Formula: C9H10N2O3S MolecularWeight: 226.2523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O3S/c1-5(12)8(6(2)13)15-9-10-4-3-7(14)11-9/h3-4,8H,1-2H3,(H,10,11,14)