ethyl 4-azanyl-2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-cyano-2-fluorophenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-cyano-2-fluorophenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-cyano-2-fluoro-benzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H13FN4O2S MolecularWeight: 332.352723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C15H13FN4O2S/c1-2-22-14(21)11-7-19-15(20-13(11)18)23-8-10-4-3-9(6-17)5-12(10)16/h3-5,7H,2,8H2,1H3,(H2,18,19,20)