9-[6-(6-aminopurin-9-yl)hexa-2,4-diynyl]purin-6-amine

Systemtic Name: 9-[6-(6-aminopurin-9-yl)hexa-2,4-diynyl]purin-6-amine Openeye Name: 9-[6-(6-aminopurin-9-yl)hexa-2,4-diynyl]purin-6-amine CAS Name: 9-[6-(6-aminopurin-9-yl)hexa-2,4-diynyl]-6-purinamine IUPAC Name: 9-[6-(6-aminopurin-9-yl)hexa-2,4-diynyl]purin-6-amine Traditional Name: [9-(6-adenin-9-ylhexa-2,4-diynyl)purin-6-yl]amine Formula: C16H12N10 MolecularWeight: 344.33348

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC#CC#CCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CC#CC#CCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C16H12N10/c17-13-11-15(21-7-19-13)25(9-23-11)5-3-1-2-4-6-26-10-24-12-14(18)20-8-22-16(12)26/h7-10H,5-6H2,(H2,17,19,21)(H2,18,20,22)