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

Systemtic Name: ethyl 4-azanyl-2-[2-(3,5-dimethylphenoxy)ethanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[[2-(3,5-dimethylphenoxy)acetyl]oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[2-(3,5-dimethylphenoxy)-1-oxoethoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[2-(3,5-dimethylphenoxy)acetyl]oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[2-(3,5-dimethylphenoxy)acetyl]oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)COC3=CC(=CC(=C3)C)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)COC3=CC(=CC(=C3)C)C)N)C

InChI

InChI=1S/C21H23N3O5S/c1-5-27-21(26)18-13(4)17-19(22)23-15(24-20(17)30-18)9-29-16(25)10-28-14-7-11(2)6-12(3)8-14/h6-8H,5,9-10H2,1-4H3,(H2,22,23,24)