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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c1-14-17-19(29-18(14)21(27)28-12-15-7-3-2-4-8-15)22-13-24(20(17)26)11-16(25)23-9-5-6-10-23/h2-4,7-8,13H,5-6,9-12H2,1H3