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

Systemtic Name: 2,5-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2,5-dimethyl-4-[4-(2-thienylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2,5-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2,5-dimethyl-4-[4-(2-thienylsulfonyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H18N4O4S3 MolecularWeight: 438.54422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C)C(=O)O

InChI

InChI=1S/C17H18N4O4S3/c1-10-13-15(18-11(2)19-16(13)27-14(10)17(22)23)20-5-7-21(8-6-20)28(24,25)12-4-3-9-26-12/h3-4,9H,5-8H2,1-2H3,(H,22,23)