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

Systemtic Name: ethyl 5-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-besylpiperazino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C20H22N4O4S2/c1-3-28-20(25)17-14(2)16-18(21-13-22-19(16)29-17)23-9-11-24(12-10-23)30(26,27)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3