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

Systemtic Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H23N4O2S+ MolecularWeight: 335.44442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-4-19-6-8-20(9-7-19)14-12-11(3)13(16(21)22-5-2)23-15(12)18-10-17-14/h10H,4-9H2,1-3H3/p+1