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

Systemtic Name: 2-methoxyethyl 4-[(5-chloranyl-2-oxidanyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 4-(5-chloro-2-hydroxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(5-chloro-2-hydroxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-(5-chloro-2-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(5-chloro-2-hydroxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)Cl)O)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)Cl)O)C(=O)OCCOC

InChI

InChI=1S/C17H16ClN3O4S/c1-9-13-15(21-11-7-10(18)3-4-12(11)22)19-8-20-16(13)26-14(9)17(23)25-6-5-24-2/h3-4,7-8,22H,5-6H2,1-2H3,(H,19,20,21)