(3S)-1-(2-chloranyl-7H-purin-6-yl)-N-(5-oxidanylpentyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-chloranyl-7H-purin-6-yl)-N-(5-oxidanylpentyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(5-hydroxypentyl)piperidine-3-carboxamide CAS Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(5-hydroxypentyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(5-hydroxypentyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(5-hydroxypentyl)nipecotamide Formula: C16H23ClN6O2 MolecularWeight: 366.84582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCCCCCO

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCCCCCO

InChI

InChI=1S/C16H23ClN6O2/c17-16-21-13-12(19-10-20-13)14(22-16)23-7-4-5-11(9-23)15(25)18-6-2-1-3-8-24/h10-11,24H,1-9H2,(H,18,25)(H,19,20,21,22)/t11-/m0/s1