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

Systemtic Name: 4-[(2-chloranyl-7H-purin-6-yl)amino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide Openeye Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide CAS Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide Traditional Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-(2-morpholin-4-ium-4-ylethyl)butyramide Formula: C15H23ClN7O2+ MolecularWeight: 368.84182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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