2-[(2-chloranyl-7H-purin-6-yl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide Formula: C12H13ClN8O MolecularWeight: 320.73762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN8O/c13-12-20-10(9-11(21-12)19-6-18-9)16-4-8(22)15-2-1-7-3-14-5-17-7/h3,5-6H,1-2,4H2,(H,14,17)(H,15,22)(H2,16,18,19,20,21)