ethyl 4-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methylsulfanyl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methylsulfanyl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methylsulfanyl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methylthio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methylsulfanyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(5-amino-2-carbethoxy-4-cyano-3-thienyl)methylthio]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H20N4O4S3 MolecularWeight: 476.5922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC3=C(SC(=C3C#N)N)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC3=C(SC(=C3C#N)N)C(=O)OCC)C)C

InChI

InChI=1S/C20H20N4O4S3/c1-5-27-19(25)14-9(3)13-17(23-10(4)24-18(13)31-14)29-8-12-11(7-21)16(22)30-15(12)20(26)28-6-2/h5-6,8,22H2,1-4H3