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

Systemtic Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(3-piperidin-1-ium-1-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(3-piperidin-1-ium-1-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(4-morpholin-4-iumylmethyl)-4-[3-(1-piperidin-1-iumyl)propylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(3-piperidin-1-ium-1-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(3-piperidin-1-ium-1-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H37N5O3S+2 MolecularWeight: 463.63658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCOCC3)NCCC[NH+]4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCOCC3)NCCC[NH+]4CCCCC4)C

InChI

InChI=1S/C23H35N5O3S/c1-3-31-23(29)20-17(2)19-21(24-8-7-11-27-9-5-4-6-10-27)25-18(26-22(19)32-20)16-28-12-14-30-15-13-28/h3-16H2,1-2H3,(H,24,25,26)/p+2