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

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

Systemtic Name:6-[2-[9-(oxan-2-yl)purin-6-yl]ethynyl]-9-(phenylmethyl)purine
Openeye Name:6-[2-(9-benzylpurin-6-yl)ethynyl]-9-tetrahydropyran-2-yl-purine
CAS Name:6-[2-[9-(2-oxanyl)-6-purinyl]ethynyl]-9-(phenylmethyl)purine
IUPAC Name:6-[2-(9-benzylpurin-6-yl)ethynyl]-9-(oxan-2-yl)purine
Traditional Name:6-[2-(9-benzylpurin-6-yl)ethynyl]-9-tetrahydropyran-2-yl-purine
Formula: C24H20N8O
MolecularWeight: 436.4686
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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)CC6=CC=CC=C6


Isomeric SMILES

C1CCOC(C1)N2C=NC3=C(N=CN=C32)C#CC4=C5C(=NC=N4)N(C=N5)CC6=CC=CC=C6


InChI

InChI=1S/C24H20N8O/c1-2-6-17(7-3-1)12-31-15-29-21-18(25-13-27-23(21)31)9-10-19-22-24(28-14-26-19)32(16-30-22)20-8-4-5-11-33-20/h1-3,6-7,13-16,20H,4-5,8,11-12H2


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