ethyl 5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(2-thienylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(1-piperidin-1-iumylmethyl)-4-(thiophen-2-ylmethylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(2-thenylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H27N4O2S2+ MolecularWeight: 431.59468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCCCC3)NCC4=CC=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCCCC3)NCC4=CC=CS4)C

InChI

InChI=1S/C21H26N4O2S2/c1-3-27-21(26)18-14(2)17-19(22-12-15-8-7-11-28-15)23-16(24-20(17)29-18)13-25-9-5-4-6-10-25/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,22,23,24)/p+1