2-methoxyethyl 5-methyl-4-[[4-(2-methylpropoxy)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl 5-methyl-4-[[4-(2-methylpropoxy)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 4-(4-isobutoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(2-methylpropoxy)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-methyl-4-[4-(2-methylpropoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-isobutoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OCC(C)C)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OCC(C)C)C(=O)OCCOC

InChI

InChI=1S/C21H25N3O4S/c1-13(2)11-28-16-7-5-15(6-8-16)24-19-17-14(3)18(21(25)27-10-9-26-4)29-20(17)23-12-22-19/h5-8,12-13H,9-11H2,1-4H3,(H,22,23,24)