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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H20N3O3S2+ MolecularWeight: 390.4997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S2/c1-10-14-16(22)19-13(20-17(14)26-15(10)18(23)24-2)9-21-7-3-5-11(21)12-6-4-8-25-12/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,19,20,22)/p+1/t11-/m1/s1