1-(2-chloranyl-7H-purin-6-yl)-N-[2-(2-hydroxyethyloxy)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-[2-(2-hydroxyethyloxy)ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(2-hydroxyethoxy)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(2-hydroxyethoxy)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(2-hydroxyethoxy)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(2-hydroxyethoxy)ethyl]isonipecotamide Formula: C15H21ClN6O3 MolecularWeight: 368.81864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCOCCO)C2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCOCCO)C2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C15H21ClN6O3/c16-15-20-12-11(18-9-19-12)13(21-15)22-4-1-10(2-5-22)14(24)17-3-7-25-8-6-23/h9-10,23H,1-8H2,(H,17,24)(H,18,19,20,21)