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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 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]pyrimidinecarboxylate IUPAC Name: 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-carboxylate Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S/c1-3-17-4-6-18(7-5-17)12-10-9(2)11(14(19)20)21-13(10)16-8-15-12/h8H,3-7H2,1-2H3,(H,19,20)