ethyl 5-methyl-4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H28N5O4S+ MolecularWeight: 434.53242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CC[NH+](CC3)CC(=O)N4CCOCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CC[NH+](CC3)CC(=O)N4CCOCC4)C

InChI

InChI=1S/C20H27N5O4S/c1-3-29-20(27)17-14(2)16-18(21-13-22-19(16)30-17)25-6-4-23(5-7-25)12-15(26)24-8-10-28-11-9-24/h13H,3-12H2,1-2H3/p+1