[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O6S2/c1-12-17-19(27)22-13(2)23-20(17)32-18(12)21(28)31-11-16(26)24-14-5-7-15(8-6-14)33(29,30)25-9-3-4-10-25/h5-8H,3-4,9-11H2,1-2H3,(H,24,26)(H,22,23,27)