8-chloranyl-9-(oxan-4-yl)-6-(2-phenylethynyl)purine

Systemtic Name: 8-chloranyl-9-(oxan-4-yl)-6-(2-phenylethynyl)purine Openeye Name: 8-chloro-6-(2-phenylethynyl)-9-tetrahydropyran-4-yl-purine CAS Name: 8-chloro-9-(4-oxanyl)-6-(2-phenylethynyl)purine IUPAC Name: 8-chloro-9-(oxan-4-yl)-6-(2-phenylethynyl)purine Traditional Name: 8-chloro-6-(2-phenylethynyl)-9-tetrahydropyran-4-yl-purine Formula: C18H15ClN4O MolecularWeight: 338.7909

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C3=NC=NC(=C3N=C2Cl)C#CC4=CC=CC=C4

Isomeric SMILES

C1COCCC1N2C3=NC=NC(=C3N=C2Cl)C#CC4=CC=CC=C4

InChI

InChI=1S/C18H15ClN4O/c19-18-22-16-15(7-6-13-4-2-1-3-5-13)20-12-21-17(16)23(18)14-8-10-24-11-9-14/h1-5,12,14H,8-11H2