2,5-dimethyl-4-oxidanylidene-3-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2,5-dimethyl-4-oxidanylidene-3-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2,5-dimethyl-4-oxo-3-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-oxo-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2,5-dimethyl-4-oxo-3-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C)CC[NH+]3CCCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C)CC[NH+]3CCCC3)C(=O)[O-]

InChI

InChI=1S/C15H19N3O3S/c1-9-11-13(22-12(9)15(20)21)16-10(2)18(14(11)19)8-7-17-5-3-4-6-17/h3-8H2,1-2H3,(H,20,21)