2-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C14H21ClN7O2+ MolecularWeight: 354.81524

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C14H20ClN7O2/c15-14-20-12(11-13(21-14)19-9-18-11)17-8-10(23)16-2-1-3-22-4-6-24-7-5-22/h9H,1-8H2,(H,16,23)(H2,17,18,19,20,21)/p+1