ethyl 4-azanyl-2-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[3-(2,5-dimethylphenoxy)-1-oxopropoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCOC3=C(C=CC(=C3)C)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)CCOC3=C(C=CC(=C3)C)C)N)C

InChI

InChI=1S/C22H25N3O5S/c1-5-28-22(27)19-14(4)18-20(23)24-16(25-21(18)31-19)11-30-17(26)8-9-29-15-10-12(2)6-7-13(15)3/h6-7,10H,5,8-9,11H2,1-4H3,(H2,23,24,25)