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

Systemtic Name: 4-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)butanamide Openeye Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)butanamide CAS Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[3-(4-morpholin-4-iumyl)propyl]butanamide IUPAC Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)butanamide Traditional Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)butyramide Formula: C16H25ClN7O2+ MolecularWeight: 382.8684

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CCCNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CCCNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C16H24ClN7O2/c17-16-22-14(13-15(23-16)21-11-20-13)19-4-1-3-12(25)18-5-2-6-24-7-9-26-10-8-24/h11H,1-10H2,(H,18,25)(H2,19,20,21,22,23)/p+1