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

Systemtic Name: ethyl 2,5-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[4-(2-thienylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[4-(2-thienylsulfonyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H22N4O4S3 MolecularWeight: 466.59738

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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=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C19H22N4O4S3/c1-4-27-19(24)16-12(2)15-17(20-13(3)21-18(15)29-16)22-7-9-23(10-8-22)30(25,26)14-6-5-11-28-14/h5-6,11H,4,7-10H2,1-3H3