1-(2-chloranyl-7H-purin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]isonipecotamide Formula: C16H19ClN8O MolecularWeight: 374.82806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CN=CN2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CN=CN2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C16H19ClN8O/c17-16-23-13-12(21-9-22-13)14(24-16)25-5-2-10(3-6-25)15(26)19-4-1-11-7-18-8-20-11/h7-10H,1-6H2,(H,18,20)(H,19,26)(H,21,22,23,24)