2-methoxyethyl 5-methyl-4-oxidanylidene-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl 5-methyl-4-oxidanylidene-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 5-methyl-4-oxo-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-methyl-4-oxo-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C20H24N3O4S2+ MolecularWeight: 434.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCC3C4=CC=CS4)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC[C@H]3C4=CC=CS4)C(=O)OCCOC

InChI

InChI=1S/C20H23N3O4S2/c1-12-16-18(24)21-15(11-23-7-3-5-13(23)14-6-4-10-28-14)22-19(16)29-17(12)20(25)27-9-8-26-2/h4,6,10,13H,3,5,7-9,11H2,1-2H3,(H,21,22,24)/p+1/t13-/m0/s1