ethyl 4-chloranyl-2-(2-cyanoethylsulfanylmethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-chloranyl-2-(2-cyanoethylsulfanylmethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-chloro-2-(2-cyanoethylsulfanylmethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-chloro-2-[(2-cyanoethylthio)methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-2-(2-cyanoethylsulfanylmethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-chloro-2-[(2-cyanoethylthio)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C14H14ClN3O2S2 MolecularWeight: 355.86286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2Cl)CSCCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2Cl)CSCCC#N)C

InChI

InChI=1S/C14H14ClN3O2S2/c1-3-20-14(19)11-8(2)10-12(15)17-9(18-13(10)22-11)7-21-6-4-5-16/h3-4,6-7H2,1-2H3