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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-3-(2-pyrrolidin-1-ium-1-ylethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-oxo-3-(2-pyrrolidin-1-ium-1-ylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C15H20N3O3S2+ MolecularWeight: 354.4676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S2/c1-9-10-12(23-11(9)14(20)21-2)16-15(22)18(13(10)19)8-7-17-5-3-4-6-17/h3-8H2,1-2H3,(H,16,22)/p+1