3-ethyl-5,6-dimethyl-2-(2-oxidanylidenepropylsulfanyl)-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one

Systemtic Name: 3-ethyl-5,6-dimethyl-2-(2-oxidanylidenepropylsulfanyl)-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Openeye Name: 2-acetonylsulfanyl-3-ethyl-5,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one CAS Name: 3-ethyl-5,6-dimethyl-2-(2-oxopropylthio)-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one IUPAC Name: 3-ethyl-5,6-dimethyl-2-(2-oxopropylsulfanyl)-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Traditional Name: 2-(acetonylthio)-3-ethyl-5,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Formula: C13H17N2O2S2+ MolecularWeight: 297.41628

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N=C2C(C1=O)C(=C(S2)C)C)SCC(=O)C

Isomeric SMILES

CC[N+]1=C(N=C2C(C1=O)C(=C(S2)C)C)SCC(=O)C

InChI

InChI=1S/C13H17N2O2S2/c1-5-15-12(17)10-8(3)9(4)19-11(10)14-13(15)18-6-7(2)16/h10H,5-6H2,1-4H3/q+1