2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC2C(=O)CC(CC2=O)(C)C)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC2C(=O)CC(CC2=O)(C)C)C

InChI

InChI=1S/C15H20N2O3S/c1-5-9-8(2)16-14(17-13(9)20)21-12-10(18)6-15(3,4)7-11(12)19/h12H,5-7H2,1-4H3,(H,16,17,20)