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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-5-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C20H22N4O2S/c1-3-23-9-11-24(12-10-23)18-15-13(2)16(20(25)26)27-19(15)22-17(21-18)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,25,26)