N-[6-(2-azanylpurin-9-yl)-8-chloranyl-7H-purin-2-yl]ethanamide

Systemtic Name: N-[6-(2-azanylpurin-9-yl)-8-chloranyl-7H-purin-2-yl]ethanamide Openeye Name: N-[6-(2-aminopurin-9-yl)-8-chloro-7H-purin-2-yl]acetamide CAS Name: N-[6-(2-amino-9-purinyl)-8-chloro-7H-purin-2-yl]acetamide IUPAC Name: N-[6-(2-aminopurin-9-yl)-8-chloro-7H-purin-2-yl]acetamide Traditional Name: N-[6-(2-aminopurin-9-yl)-8-chloro-7H-purin-2-yl]acetamide Formula: C12H9ClN10O MolecularWeight: 344.71926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)N3C=NC4=CN=C(N=C43)N)NC(=N2)Cl

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)N3C=NC4=CN=C(N=C43)N)NC(=N2)Cl

InChI

InChI=1S/C12H9ClN10O/c1-4(24)17-12-20-7-6(18-10(13)19-7)9(22-12)23-3-16-5-2-15-11(14)21-8(5)23/h2-3H,1H3,(H2,14,15,21)(H2,17,18,19,20,22,24)