ethyl 4-(cyanomethylsulfanyl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(cyanomethylsulfanyl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(cyanomethylsulfanyl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(cyanomethylthio)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyanomethylsulfanyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(cyanomethylthio)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C13H13N3O2S2 MolecularWeight: 307.39122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC#N)C)C

InChI

InChI=1S/C13H13N3O2S2/c1-4-18-13(17)10-7(2)9-11(19-6-5-14)15-8(3)16-12(9)20-10/h4,6H2,1-3H3