ethyl 4-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(5-ethylsulfonyl-2-hydroxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(5-ethylsulfonyl-2-hydroxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-ethylsulfonyl-2-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(5-esyl-2-hydroxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)S(=O)(=O)CC)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)S(=O)(=O)CC)O)C

InChI

InChI=1S/C18H19N3O5S2/c1-4-26-18(23)15-10(3)14-16(19-9-20-17(14)27-15)21-12-8-11(6-7-13(12)22)28(24,25)5-2/h6-9,22H,4-5H2,1-3H3,(H,19,20,21)