9-(phenylmethyl)-6-[2-[9-(phenylmethyl)purin-6-yl]ethynyl]purine

Systemtic Name: 9-(phenylmethyl)-6-[2-[9-(phenylmethyl)purin-6-yl]ethynyl]purine Openeye Name: 9-benzyl-6-[2-(9-benzylpurin-6-yl)ethynyl]purine CAS Name: 9-(phenylmethyl)-6-[2-[9-(phenylmethyl)-6-purinyl]ethynyl]purine IUPAC Name: 9-benzyl-6-[2-(9-benzylpurin-6-yl)ethynyl]purine Traditional Name: 9-benzyl-6-[2-(9-benzylpurin-6-yl)ethynyl]purine Formula: C26H18N8 MolecularWeight: 442.47472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H18N8/c1-3-7-19(8-4-1)13-33-17-31-23-21(27-15-29-25(23)33)11-12-22-24-26(30-16-28-22)34(18-32-24)14-20-9-5-2-6-10-20/h1-10,15-18H,13-14H2