ethyl 4-[(4-fluorophenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-fluorophenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-fluorophenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(4-fluorophenyl)methylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluorophenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(4-fluorobenzyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H16FN3O2S MolecularWeight: 321.369843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC=C(C=C2)F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC=C(C=C2)F)SC

InChI

InChI=1S/C15H16FN3O2S/c1-3-21-14(20)12-9-18-15(22-2)19-13(12)17-8-10-4-6-11(16)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,17,18,19)