ethyl 4-[[6-chloranyl-7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-chloranyl-7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-chloro-7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-chloro-7-[(4-fluorophenyl)methyl]-8-purinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-chloro-7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-chloro-7-(4-fluorobenzyl)purin-8-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H22ClFN6O2 MolecularWeight: 432.879083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=NC=N3)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=NC=N3)Cl

InChI

InChI=1S/C20H22ClFN6O2/c1-2-30-20(29)27-9-7-15(8-10-27)25-19-26-18-16(17(21)23-12-24-18)28(19)11-13-3-5-14(22)6-4-13/h3-6,12,15H,2,7-11H2,1H3,(H,23,24,25,26)