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

Systemtic Name: ethyl 2,5-dimethyl-4-[4-(phenylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-besylpiperazino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S2/c1-4-29-21(26)18-14(2)17-19(22-15(3)23-20(17)30-18)24-10-12-25(13-11-24)31(27,28)16-8-6-5-7-9-16/h5-9H,4,10-13H2,1-3H3