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

Systemtic Name: ethyl 4-[[6-chloranyl-7-[(4-fluorophenyl)methyl]purin-8-yl]methyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-chloro-7-[(4-fluorophenyl)methyl]purin-8-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[6-chloro-7-[(4-fluorophenyl)methyl]-8-purinyl]methyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-chloro-7-[(4-fluorophenyl)methyl]purin-8-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[6-chloro-7-(4-fluorobenzyl)purin-8-yl]methyl]piperidine-1-carboxylic acid ethyl ester Formula: C21H23ClFN5O2 MolecularWeight: 431.891023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=NC=N3)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=NC=N3)Cl

InChI

InChI=1S/C21H23ClFN5O2/c1-2-30-21(29)27-9-7-14(8-10-27)11-17-26-20-18(19(22)24-13-25-20)28(17)12-15-3-5-16(23)6-4-15/h3-6,13-14H,2,7-12H2,1H3