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

Systemtic Name: ethyl 5-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=CN=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=CN=CC=C4)C

InChI

InChI=1S/C20H23N5O2S/c1-3-27-20(26)17-14(2)16-18(22-13-23-19(16)28-17)25-9-7-24(8-10-25)12-15-5-4-6-21-11-15/h4-6,11,13H,3,7-10,12H2,1-2H3/p+1