9-(oxan-2-yl)-6-[4-[9-(oxan-2-yl)purin-6-yl]buta-1,3-diynyl]purine

Systemtic Name: 9-(oxan-2-yl)-6-[4-[9-(oxan-2-yl)purin-6-yl]buta-1,3-diynyl]purine Openeye Name: 9-tetrahydropyran-2-yl-6-[4-(9-tetrahydropyran-2-ylpurin-6-yl)buta-1,3-diynyl]purine CAS Name: 9-(2-oxanyl)-6-[4-[9-(2-oxanyl)-6-purinyl]buta-1,3-diynyl]purine IUPAC Name: 9-(oxan-2-yl)-6-[4-[9-(oxan-2-yl)purin-6-yl]buta-1,3-diynyl]purine Traditional Name: 9-tetrahydropyran-2-yl-6-[4-(9-tetrahydropyran-2-ylpurin-6-yl)buta-1,3-diynyl]purine Formula: C24H22N8O2 MolecularWeight: 454.48388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N8O2/c1(7-17-21-23(27-13-25-17)31(15-29-21)19-9-3-5-11-33-19)2-8-18-22-24(28-14-26-18)32(16-30-22)20-10-4-6-12-34-20/h13-16,19-20H,3-6,9-12H2