9-(phenylmethyl)-6-[8-[9-(phenylmethyl)purin-6-yl]octa-1,7-diynyl]purine

Systemtic Name: 9-(phenylmethyl)-6-[8-[9-(phenylmethyl)purin-6-yl]octa-1,7-diynyl]purine Openeye Name: 9-benzyl-6-[8-(9-benzylpurin-6-yl)octa-1,7-diynyl]purine CAS Name: 9-(phenylmethyl)-6-[8-[9-(phenylmethyl)-6-purinyl]octa-1,7-diynyl]purine IUPAC Name: 9-benzyl-6-[8-(9-benzylpurin-6-yl)octa-1,7-diynyl]purine Traditional Name: 9-benzyl-6-[8-(9-benzylpurin-6-yl)octa-1,7-diynyl]purine Formula: C32H26N8 MolecularWeight: 522.60244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C#CCCCCC#CC4=C5C(=NC=N4)N(C=N5)CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C#CCCCCC#CC4=C5C(=NC=N4)N(C=N5)CC6=CC=CC=C6

InChI

InChI=1S/C32H26N8/c1(3-11-17-27-29-31(35-21-33-27)39(23-37-29)19-25-13-7-5-8-14-25)2-4-12-18-28-30-32(36-22-34-28)40(24-38-30)20-26-15-9-6-10-16-26/h5-10,13-16,21-24H,1-4,19-20H2