tert-butyl 3-[(6-chloranylpurin-9-yl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(6-chloranylpurin-9-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(6-chloropurin-9-yl)methyl]piperidine-1-carboxylate CAS Name: 3-[(6-chloro-9-purinyl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6-chloropurin-9-yl)methyl]piperidine-1-carboxylate Traditional Name: 3-[(6-chloropurin-9-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C16H22ClN5O2 MolecularWeight: 351.83118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C16H22ClN5O2/c1-16(2,3)24-15(23)21-6-4-5-11(7-21)8-22-10-20-12-13(17)18-9-19-14(12)22/h9-11H,4-8H2,1-3H3