tert-butyl 4-[2-ethyl-9-(2-fluoranylethyl)-6H-purin-1-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-ethyl-9-(2-fluoranylethyl)-6H-purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-ethyl-9-(2-fluoroethyl)-6H-purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[2-ethyl-9-(2-fluoroethyl)-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-ethyl-9-(2-fluoroethyl)-6H-purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[2-ethyl-9-(2-fluoroethyl)-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H29FN6O2 MolecularWeight: 380.460263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(CN1N3CCN(CC3)C(=O)OC(C)(C)C)N=CN2CCF

Isomeric SMILES

CCC1=NC2=C(CN1N3CCN(CC3)C(=O)OC(C)(C)C)N=CN2CCF

InChI

InChI=1S/C18H29FN6O2/c1-5-15-21-16-14(20-13-23(16)7-6-19)12-25(15)24-10-8-22(9-11-24)17(26)27-18(2,3)4/h13H,5-12H2,1-4H3