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

Systemtic Name: methyl 2,5-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H20N4O4S3 MolecularWeight: 452.5708

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S3/c1-11-14-16(19-12(2)20-17(14)28-15(11)18(23)26-3)21-6-8-22(9-7-21)29(24,25)13-5-4-10-27-13/h4-5,10H,6-9H2,1-3H3