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

Systemtic Name: ethyl 3-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C)C

InChI

InChI=1S/C23H26N4O4S/c1-4-31-23(30)20-15(2)19-21(32-20)24-13-27(22(19)29)14-25-9-11-26(12-10-25)18-7-5-17(6-8-18)16(3)28/h5-8,13H,4,9-12,14H2,1-3H3/p+1