[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid [(1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid [(1S)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)OC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O4S/c1-13-15-18(22-12-23(2)19(15)25)29-17(13)21(27)28-16(14-8-4-3-5-9-14)20(26)24-10-6-7-11-24/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3/t16-/m0/s1