2-(5-bromanyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylcyclohexane-1,3-dione

Systemtic Name: 2-(5-bromanyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylcyclohexane-1,3-dione Openeye Name: 2-(5-bromo-2-methylsulfanyl-pyrimidine-4-carbonyl)cyclohexane-1,3-dione CAS Name: 2-[[5-bromo-2-(methylthio)-4-pyrimidinyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-(5-bromo-2-methylsulfanylpyrimidine-4-carbonyl)cyclohexane-1,3-dione Traditional Name: 2-[5-bromo-2-(methylthio)pyrimidine-4-carbonyl]cyclohexane-1,3-quinone Formula: C12H11BrN2O3S MolecularWeight: 343.19634

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)C2C(=O)CCCC2=O)Br

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)C2C(=O)CCCC2=O)Br

InChI

InChI=1S/C12H11BrN2O3S/c1-19-12-14-5-6(13)10(15-12)11(18)9-7(16)3-2-4-8(9)17/h5,9H,2-4H2,1H3