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

Systemtic Name: methyl 2,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[2-(1-pyrrolidin-1-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC[NH+]3CCCC3)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC[NH+]3CCCC3)C)C(=O)OC

InChI

InChI=1S/C16H22N4O2S/c1-10-12-14(17-6-9-20-7-4-5-8-20)18-11(2)19-15(12)23-13(10)16(21)22-3/h4-9H2,1-3H3,(H,17,18,19)/p+1