tert-butyl 5-(5-fluoranyl-4-methylsulfanyl-pyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: tert-butyl 5-(5-fluoranyl-4-methylsulfanyl-pyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: tert-butyl 5-(5-fluoro-4-methylsulfanyl-pyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate CAS Name: 5-[5-fluoro-4-(methylthio)-2-pyrimidinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: 5-[5-fluoro-4-(methylthio)pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester Formula: C15H21FN4O2S MolecularWeight: 340.416243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC1CN2C3=NC=C(C(=N3)SC)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CC1CN2C3=NC=C(C(=N3)SC)F

InChI

InChI=1S/C15H21FN4O2S/c1-15(2,3)22-14(21)20-8-9-5-10(20)7-19(9)13-17-6-11(16)12(18-13)23-4/h6,9-10H,5,7-8H2,1-4H3