N-[9-(2-cyanoethyl)purin-6-yl]-N-ethanoyl-ethanamide

Systemtic Name: N-[9-(2-cyanoethyl)purin-6-yl]-N-ethanoyl-ethanamide Openeye Name: N-acetyl-N-[9-(2-cyanoethyl)purin-6-yl]acetamide CAS Name: N-acetyl-N-[9-(2-cyanoethyl)-6-purinyl]acetamide IUPAC Name: N-acetyl-N-[9-(2-cyanoethyl)purin-6-yl]acetamide Traditional Name: N-acetyl-N-[9-(2-cyanoethyl)purin-6-yl]acetamide Formula: C12H12N6O2 MolecularWeight: 272.26268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=NC=NC2=C1N=CN2CCC#N)C(=O)C

Isomeric SMILES

CC(=O)N(C1=NC=NC2=C1N=CN2CCC#N)C(=O)C

InChI

InChI=1S/C12H12N6O2/c1-8(19)18(9(2)20)12-10-11(14-6-15-12)17(7-16-10)5-3-4-13/h6-7H,3,5H2,1-2H3