9-(phenylmethyl)-6-[4-[9-(phenylmethyl)purin-6-yl]buta-1,3-diynyl]purine

Systemtic Name: 9-(phenylmethyl)-6-[4-[9-(phenylmethyl)purin-6-yl]buta-1,3-diynyl]purine Openeye Name: 9-benzyl-6-[4-(9-benzylpurin-6-yl)buta-1,3-diynyl]purine CAS Name: 9-(phenylmethyl)-6-[4-[9-(phenylmethyl)-6-purinyl]buta-1,3-diynyl]purine IUPAC Name: 9-benzyl-6-[4-(9-benzylpurin-6-yl)buta-1,3-diynyl]purine Traditional Name: 9-benzyl-6-[4-(9-benzylpurin-6-yl)buta-1,3-diynyl]purine Formula: C28H18N8 MolecularWeight: 466.49612

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H18N8/c1-3-9-21(10-4-1)15-35-19-33-25-23(29-17-31-27(25)35)13-7-8-14-24-26-28(32-18-30-24)36(20-34-26)16-22-11-5-2-6-12-22/h1-6,9-12,17-20H,15-16H2