2-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C13H15ClN8O MolecularWeight: 334.7642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC(=O)CNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CN(C=N1)CCCNC(=O)CNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C13H15ClN8O/c14-13-20-11(10-12(21-13)19-7-18-10)17-6-9(23)16-2-1-4-22-5-3-15-8-22/h3,5,7-8H,1-2,4,6H2,(H,16,23)(H2,17,18,19,20,21)