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

Systemtic Name: ethyl 4-azanyl-2-[2-(3-chloranylphenoxy)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[2-(3-chlorophenoxy)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[2-(3-chlorophenoxy)-1-oxopropoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(3-chlorophenoxy)propanoyloxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[2-(3-chlorophenoxy)propanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C(C)OC3=CC(=CC=C3)Cl)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C(C)OC3=CC(=CC=C3)Cl)N)C

InChI

InChI=1S/C20H20ClN3O5S/c1-4-27-20(26)16-10(2)15-17(22)23-14(24-18(15)30-16)9-28-19(25)11(3)29-13-7-5-6-12(21)8-13/h5-8,11H,4,9H2,1-3H3,(H2,22,23,24)