3-(2,5,6-trimethyl-4-oxidanylidene-4aH-thieno[2,3-d]pyrimidin-3-ium-3-yl)propanoic acid

Systemtic Name: 3-(2,5,6-trimethyl-4-oxidanylidene-4aH-thieno[2,3-d]pyrimidin-3-ium-3-yl)propanoic acid Openeye Name: 3-(2,5,6-trimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-3-ium-3-yl)propanoic acid CAS Name: 3-(2,5,6-trimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-3-ium-3-yl)propanoic acid IUPAC Name: 3-(2,5,6-trimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-3-ium-3-yl)propanoic acid Traditional Name: 3-(4-keto-2,5,6-trimethyl-4aH-thieno[2,3-d]pyrimidin-3-ium-3-yl)propionic acid Formula: C12H15N2O3S+ MolecularWeight: 267.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=[N+](C(=O)C12)CCC(=O)O)C)C

Isomeric SMILES

CC1=C(SC2=NC(=[N+](C(=O)C12)CCC(=O)O)C)C

InChI

InChI=1S/C12H14N2O3S/c1-6-7(2)18-11-10(6)12(17)14(8(3)13-11)5-4-9(15)16/h10H,4-5H2,1-3H3/p+1