1-(2-chloranyl-7H-purin-6-yl)-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[3-(1-imidazolyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-(3-imidazol-1-ylpropyl)isonipecotamide Formula: C17H21ClN8O MolecularWeight: 388.85464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCN2C=CN=C2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCCN2C=CN=C2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C17H21ClN8O/c18-17-23-14-13(21-10-22-14)15(24-17)26-7-2-12(3-8-26)16(27)20-4-1-6-25-9-5-19-11-25/h5,9-12H,1-4,6-8H2,(H,20,27)(H,21,22,23,24)