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

Systemtic Name: ethyl 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(2-chlorophenyl)sulfonylpiperazino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H21ClN4O4S2 MolecularWeight: 480.98814

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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=C4Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C20H21ClN4O4S2/c1-3-29-20(26)17-13(2)16-18(22-12-23-19(16)30-17)24-8-10-25(11-9-24)31(27,28)15-7-5-4-6-14(15)21/h4-7,12H,3,8-11H2,1-2H3