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

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(2-methoxyphenyl)ethyl]isonipecotamide Formula: C20H23ClN6O2 MolecularWeight: 414.88862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C20H23ClN6O2/c1-29-15-5-3-2-4-13(15)6-9-22-19(28)14-7-10-27(11-8-14)18-16-17(24-12-23-16)25-20(21)26-18/h2-5,12,14H,6-11H2,1H3,(H,22,28)(H,23,24,25,26)