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

Systemtic Name: ethyl 5-methyl-4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[[4-(2-ketopyrrolidino)benzyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC=C(C=C3)N4CCCC4=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC=C(C=C3)N4CCCC4=O)C

InChI

InChI=1S/C21H22N4O3S/c1-3-28-21(27)18-13(2)17-19(23-12-24-20(17)29-18)22-11-14-6-8-15(9-7-14)25-10-4-5-16(25)26/h6-9,12H,3-5,10-11H2,1-2H3,(H,22,23,24)