ethyl 4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]azepane-1-carboxylate CAS Name: 4-[[9-[(4-fluorophenyl)methyl]-8-purinyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[9-(4-fluorobenzyl)purin-8-yl]amino]azepane-1-carboxylic acid ethyl ester Formula: C21H25FN6O2 MolecularWeight: 412.460603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN6O2/c1-2-30-21(29)27-10-3-4-17(9-11-27)25-20-26-18-12-23-14-24-19(18)28(20)13-15-5-7-16(22)8-6-15/h5-8,12,14,17H,2-4,9-11,13H2,1H3,(H,25,26)