ethyl 4-[[9-[(4-fluorophenyl)methyl]-6-methyl-purin-8-yl]methyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[9-[(4-fluorophenyl)methyl]-6-methyl-purin-8-yl]methyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[9-[(4-fluorophenyl)methyl]-6-methyl-purin-8-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[9-[(4-fluorophenyl)methyl]-6-methyl-8-purinyl]methyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[9-[(4-fluorophenyl)methyl]-6-methylpurin-8-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[9-(4-fluorobenzyl)-6-methyl-purin-8-yl]methyl]piperidine-1-carboxylic acid ethyl ester Formula: C22H26FN5O2 MolecularWeight: 411.472543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)CC2=NC3=C(N=CN=C3N2CC4=CC=C(C=C4)F)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)CC2=NC3=C(N=CN=C3N2CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H26FN5O2/c1-3-30-22(29)27-10-8-16(9-11-27)12-19-26-20-15(2)24-14-25-21(20)28(19)13-17-4-6-18(23)7-5-17/h4-7,14,16H,3,8-13H2,1-2H3