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

Systemtic Name: ethyl 5-methyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-piperidin-1-iumylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(piperidin-1-ium-4-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3CC[NH2+]CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3CC[NH2+]CC3)C

InChI

InChI=1S/C15H20N4O2S/c1-3-21-15(20)12-9(2)11-13(17-8-18-14(11)22-12)19-10-4-6-16-7-5-10/h8,10,16H,3-7H2,1-2H3,(H,17,18,19)/p+1