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

Systemtic Name: ethyl 4-azanyl-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H28N5O5S2+ MolecularWeight: 506.61822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC)N)C

InChI

InChI=1S/C22H27N5O5S2/c1-4-32-22(28)19-14(2)18-20(23)24-17(25-21(18)33-19)13-26-9-11-27(12-10-26)34(29,30)16-7-5-15(31-3)6-8-16/h5-8H,4,9-13H2,1-3H3,(H2,23,24,25)/p+1