ethyl 4-azanyl-5-methyl-2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[oxo-[4-(2-oxo-1-pyrrolidinyl)phenyl]methoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[4-(2-ketopyrrolidino)benzoyl]oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=CC=C(C=C3)N4CCCC4=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=CC=C(C=C3)N4CCCC4=O)N)C

InChI

InChI=1S/C22H22N4O5S/c1-3-30-22(29)18-12(2)17-19(23)24-15(25-20(17)32-18)11-31-21(28)13-6-8-14(9-7-13)26-10-4-5-16(26)27/h6-9H,3-5,10-11H2,1-2H3,(H2,23,24,25)