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

Systemtic Name: ethyl 2,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H25N4O2S+ MolecularWeight: 349.471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC[NH+]3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC[NH+]3CCCC3)C

InChI

InChI=1S/C17H24N4O2S/c1-4-23-17(22)14-11(2)13-15(19-12(3)20-16(13)24-14)18-7-10-21-8-5-6-9-21/h4-10H2,1-3H3,(H,18,19,20)/p+1