5-methyl-4-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-[[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]thio]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H20N4O5S3 MolecularWeight: 492.5916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C(=O)O

InChI

InChI=1S/C20H20N4O5S3/c1-12-16-18(21-11-22-19(16)31-17(12)20(26)27)30-10-15(25)23-13-5-4-6-14(9-13)32(28,29)24-7-2-3-8-24/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,23,25)(H,26,27)