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

Systemtic Name: ethyl 5-methyl-4-(2-methylsulfonylethylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(2-methylsulfonylethylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-methylsulfonylethylamino)-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(2-methylsulfonylethylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-mesylethylamino)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H23N3O4S3 MolecularWeight: 465.60932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NCCS(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NCCS(=O)(=O)C)C

InChI

InChI=1S/C20H23N3O4S3/c1-4-27-20(24)17-13(2)16-18(21-10-11-30(3,25)26)22-15(23-19(16)29-17)12-28-14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3,(H,21,22,23)