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

Systemtic Name: 4-azanyl-N-[(4-chlorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: 4-amino-N-[(4-chlorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: 4-amino-N-[(4-chlorophenyl)methyl]-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: 4-amino-N-[(4-chlorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: 4-amino-N-(4-chlorobenzyl)-1-(7H-purin-6-yl)isonipecotamide Formula: C18H20ClN7O MolecularWeight: 385.8507

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)NCC2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CCC1(C(=O)NCC2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H20ClN7O/c19-13-3-1-12(2-4-13)9-21-17(27)18(20)5-7-26(8-6-18)16-14-15(23-10-22-14)24-11-25-16/h1-4,10-11H,5-9,20H2,(H,21,27)(H,22,23,24,25)