methyl 2-[(4-fluorophenyl)methyl]-6-methyl-2-(7H-purin-8-yl)piperidine-1-carboxylate

Systemtic Name: methyl 2-[(4-fluorophenyl)methyl]-6-methyl-2-(7H-purin-8-yl)piperidine-1-carboxylate Openeye Name: methyl 2-[(4-fluorophenyl)methyl]-6-methyl-2-(7H-purin-8-yl)piperidine-1-carboxylate CAS Name: 2-[(4-fluorophenyl)methyl]-6-methyl-2-(7H-purin-8-yl)-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-fluorophenyl)methyl]-6-methyl-2-(7H-purin-8-yl)piperidine-1-carboxylate Traditional Name: 2-(4-fluorobenzyl)-6-methyl-2-(7H-purin-8-yl)piperidine-1-carboxylic acid methyl ester Formula: C20H22FN5O2 MolecularWeight: 383.419383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)OC)(CC2=CC=C(C=C2)F)C3=NC4=NC=NC=C4N3

Isomeric SMILES

CC1CCCC(N1C(=O)OC)(CC2=CC=C(C=C2)F)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C20H22FN5O2/c1-13-4-3-9-20(26(13)19(27)28-2,10-14-5-7-15(21)8-6-14)18-24-16-11-22-12-23-17(16)25-18/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,23,24,25)