ethyl 4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]methylamino]piperidine-1-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NCC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NCC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN6O2/c1-2-30-21(29)27-9-7-17(8-10-27)24-12-19-26-18-11-23-14-25-20(18)28(19)13-15-3-5-16(22)6-4-15/h3-6,11,14,17,24H,2,7-10,12-13H2,1H3