N-[2,5-bis(chloranyl)phenyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-(2,5-dichlorophenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-(2,5-dichlorophenyl)-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-(2,5-dichlorophenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-(2,5-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=C(C=CC(=C2)Cl)Cl)C3=NC=NC4=C3NC=N4

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2N6O/c18-11-1-2-12(19)13(7-11)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)