3-ethyl-2,5-dimethyl-4-oxidanylidene-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid

Systemtic Name: 3-ethyl-2,5-dimethyl-4-oxidanylidene-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid Openeye Name: 3-ethyl-2,5-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid CAS Name: 3-ethyl-2,5-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid IUPAC Name: 3-ethyl-2,5-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid Traditional Name: 3-ethyl-4-keto-2,5-dimethyl-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid Formula: C11H13N2O3S+ MolecularWeight: 253.29752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O3S/c1-4-13-6(3)12-9-7(10(13)14)5(2)8(17-9)11(15)16/h7H,4H2,1-3H3/p+1