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

Systemtic Name: 9-(oxan-2-yl)-6-[2-[9-(oxan-2-yl)purin-6-yl]ethynyl]purine Openeye Name: 9-tetrahydropyran-2-yl-6-[2-(9-tetrahydropyran-2-ylpurin-6-yl)ethynyl]purine CAS Name: 9-(2-oxanyl)-6-[2-[9-(2-oxanyl)-6-purinyl]ethynyl]purine IUPAC Name: 9-(oxan-2-yl)-6-[2-[9-(oxan-2-yl)purin-6-yl]ethynyl]purine Traditional Name: 9-tetrahydropyran-2-yl-6-[2-(9-tetrahydropyran-2-ylpurin-6-yl)ethynyl]purine Formula: C22H22N8O2 MolecularWeight: 430.46248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C(N=CN=C32)C#CC4=C5C(=NC=N4)N(C=N5)C6CCCCO6

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C(N=CN=C32)C#CC4=C5C(=NC=N4)N(C=N5)C6CCCCO6

InChI

InChI=1S/C22H22N8O2/c1-3-9-31-17(5-1)29-13-27-19-15(23-11-25-21(19)29)7-8-16-20-22(26-12-24-16)30(14-28-20)18-6-2-4-10-32-18/h11-14,17-18H,1-6,9-10H2