ethyl 3-[(5-cyano-2-fluoranyl-phenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[(5-cyano-2-fluoranyl-phenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(5-cyano-2-fluoro-phenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(5-cyano-2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-cyano-2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(5-cyano-2-fluoro-benzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H14FN3O3S MolecularWeight: 371.385463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=C(C=CC(=C3)C#N)F)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=C(C=CC(=C3)C#N)F)C

InChI

InChI=1S/C18H14FN3O3S/c1-3-25-18(24)15-10(2)14-16(26-15)21-9-22(17(14)23)8-12-6-11(7-20)4-5-13(12)19/h4-6,9H,3,8H2,1-2H3