3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-quinone Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN2C(=O)C3=C(C=CS3)NC2=O

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN2C(=O)C3=C(C=CS3)NC2=O

InChI

InChI=1S/C13H17N3O2S/c1-2-15-6-3-4-9(15)8-16-12(17)11-10(5-7-19-11)14-13(16)18/h5,7,9H,2-4,6,8H2,1H3,(H,14,18)/p+1/t9-/m0/s1