9-pentyl-6-[2-(9-pentylpurin-6-yl)ethynyl]purine

Systemtic Name: 9-pentyl-6-[2-(9-pentylpurin-6-yl)ethynyl]purine Openeye Name: 9-pentyl-6-[2-(9-pentylpurin-6-yl)ethynyl]purine CAS Name: 9-pentyl-6-[2-(9-pentyl-6-purinyl)ethynyl]purine IUPAC Name: 9-pentyl-6-[2-(9-pentylpurin-6-yl)ethynyl]purine Traditional Name: 9-amyl-6-[2-(9-amylpurin-6-yl)ethynyl]purine Formula: C22H26N8 MolecularWeight: 402.49544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NC2=C(N=CN=C21)C#CC3=C4C(=NC=N3)N(C=N4)CCCCC

Isomeric SMILES

CCCCCN1C=NC2=C(N=CN=C21)C#CC3=C4C(=NC=N3)N(C=N4)CCCCC

InChI

InChI=1S/C22H26N8/c1-3-5-7-11-29-15-27-19-17(23-13-25-21(19)29)9-10-18-20-22(26-14-24-18)30(16-28-20)12-8-6-4-2/h13-16H,3-8,11-12H2,1-2H3