N-[(4-chlorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-(7H-purin-6-yl)isonipecotamide Formula: C18H19ClN6O MolecularWeight: 370.83606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)C3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H19ClN6O/c19-14-3-1-12(2-4-14)9-20-18(26)13-5-7-25(8-6-13)17-15-16(22-10-21-15)23-11-24-17/h1-4,10-11,13H,5-9H2,(H,20,26)(H,21,22,23,24)