2-methoxyethyl 2-[[(4-fluorophenyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methoxyethyl 2-[[(4-fluorophenyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 2-[(4-fluoroanilino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-fluoroanilino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(4-fluoroanilino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-fluoroanilino)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C18H18FN3O4S MolecularWeight: 391.416623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CNC3=CC=C(C=C3)F)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CNC3=CC=C(C=C3)F)C(=O)OCCOC

InChI

InChI=1S/C18H18FN3O4S/c1-10-14-16(23)21-13(9-20-12-5-3-11(19)4-6-12)22-17(14)27-15(10)18(24)26-8-7-25-2/h3-6,20H,7-9H2,1-2H3,(H,21,22,23)