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

Systemtic Name: ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S/c1-4-24-17(23)14-11(2)13-15(18-12(3)19-16(13)25-14)21-7-5-20(6-8-21)9-10-22/h22H,4-10H2,1-3H3/p+1