N-[3,5-bis(chloranyl)phenyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-(3,5-dichlorophenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-(3,5-dichlorophenyl)-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-(3,5-dichlorophenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-(3,5-dichlorophenyl)-1-(7H-purin-6-yl)isonipecotamide Formula: C17H16Cl2N6O MolecularWeight: 391.25454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2N6O/c18-11-5-12(19)7-13(6-11)24-17(26)10-1-3-25(4-2-10)16-14-15(21-8-20-14)22-9-23-16/h5-10H,1-4H2,(H,24,26)(H,20,21,22,23)