2-[(2-chloranyl-7H-purin-6-yl)amino]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]acetamide Formula: C14H21ClN7O+ MolecularWeight: 338.81584

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C14H20ClN7O/c1-2-22-5-3-4-9(22)6-16-10(23)7-17-12-11-13(19-8-18-11)21-14(15)20-12/h8-9H,2-7H2,1H3,(H,16,23)(H2,17,18,19,20,21)/p+1/t9-/m0/s1