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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H20N4O2S MolecularWeight: 320.4099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O2S/c1-4-18-5-7-19(8-6-18)13-11-9(2)12(15(20)21)22-14(11)17-10(3)16-13/h4-8H2,1-3H3,(H,20,21)