N-[3,4-bis(fluoranyl)phenyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-(3,4-difluorophenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-(3,4-difluorophenyl)-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-(3,4-difluorophenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-(3,4-difluorophenyl)-1-(7H-purin-6-yl)isonipecotamide Formula: C17H16F2N6O MolecularWeight: 358.345346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)F)C3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)F)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C17H16F2N6O/c18-12-2-1-11(7-13(12)19)24-17(26)10-3-5-25(6-4-10)16-14-15(21-8-20-14)22-9-23-16/h1-2,7-10H,3-6H2,(H,24,26)(H,20,21,22,23)