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

Systemtic Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H29N4O2S2+ MolecularWeight: 457.63196

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)CSC4=CC=CC=C4)C(=O)OCC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)CSC4=CC=CC=C4)C(=O)OCC)C

InChI

InChI=1S/C23H28N4O2S2/c1-4-26-11-13-27(14-12-26)21-19-16(3)20(23(28)29-5-2)31-22(19)25-18(24-21)15-30-17-9-7-6-8-10-17/h6-10H,4-5,11-15H2,1-3H3/p+1