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

Systemtic Name: 2-methoxyethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 4-(3-chloro-4-fluoro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-chloro-4-fluoroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-(3-chloro-4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-chloro-4-fluoro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C17H15ClFN3O3S MolecularWeight: 395.835703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClFN3O3S/c1-9-13-15(22-10-3-4-12(19)11(18)7-10)20-8-21-16(13)26-14(9)17(23)25-6-5-24-2/h3-4,7-8H,5-6H2,1-2H3,(H,20,21,22)