3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3-methylbutyl)propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3-methylbutyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-isopentyl-propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(3-methylbutyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3-methylbutyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-isoamyl-propionamide Formula: C13H18ClN5OS MolecularWeight: 327.83292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCSC1=NC(=NC2=C1NC=N2)Cl

Isomeric SMILES

CC(C)CCNC(=O)CCSC1=NC(=NC2=C1NC=N2)Cl

InChI

InChI=1S/C13H18ClN5OS/c1-8(2)3-5-15-9(20)4-6-21-12-10-11(17-7-16-10)18-13(14)19-12/h7-8H,3-6H2,1-2H3,(H,15,20)(H,16,17,18,19)