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

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C14H20ClN6O2S+ MolecularWeight: 371.8656

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C14H19ClN6O2S/c15-14-19-12-11(17-9-18-12)13(20-14)24-8-10(22)16-2-1-3-21-4-6-23-7-5-21/h9H,1-8H2,(H,16,22)(H,17,18,19,20)/p+1