1-(2-chloranyl-7H-purin-6-yl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]isonipecotamide Formula: C18H26ClN7O MolecularWeight: 391.89834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

CCN1CCC[C@H]1CNC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H26ClN7O/c1-2-25-7-3-4-13(25)10-20-17(27)12-5-8-26(9-6-12)16-14-15(22-11-21-14)23-18(19)24-16/h11-13H,2-10H2,1H3,(H,20,27)(H,21,22,23,24)/t13-/m0/s1