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

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]isonipecotamide Formula: C19H21ClN6O2 MolecularWeight: 400.86204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CC=C(C=C2)O)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CC=C(C=C2)O)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C19H21ClN6O2/c20-19-24-16-15(22-11-23-16)17(25-19)26-9-6-13(7-10-26)18(28)21-8-5-12-1-3-14(27)4-2-12/h1-4,11,13,27H,5-10H2,(H,21,28)(H,22,23,24,25)