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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-[3-(4-morpholin-4-iumyl)propyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)propionamide Formula: C15H23ClN7O2+ MolecularWeight: 368.84182

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C15H22ClN7O2/c16-15-21-13(12-14(22-15)20-10-19-12)18-4-2-11(24)17-3-1-5-23-6-8-25-9-7-23/h10H,1-9H2,(H,17,24)(H2,18,19,20,21,22)/p+1