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

Systemtic Name: ethyl 4-azanyl-2-[2-(2-cyanophenoxy)ethanoyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[[2-(2-cyanophenoxy)acetyl]oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[2-(2-cyanophenoxy)-1-oxoethoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[2-(2-cyanophenoxy)acetyl]oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[2-(2-cyanophenoxy)acetyl]oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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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=C3C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)COC3=CC=CC=C3C#N)N)C

InChI

InChI=1S/C20H18N4O5S/c1-3-27-20(26)17-11(2)16-18(22)23-14(24-19(16)30-17)9-29-15(25)10-28-13-7-5-4-6-12(13)8-21/h4-7H,3,9-10H2,1-2H3,(H2,22,23,24)