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

Systemtic Name: ethyl 5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-propyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)OCC)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)OCC)C

InChI

InChI=1S/C17H24N4O2S/c1-4-6-20-7-9-21(10-8-20)15-13-12(3)14(17(22)23-5-2)24-16(13)19-11-18-15/h11H,4-10H2,1-3H3/p+1