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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C(=NC3=C2N=CN=C3Cl)C#CC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)N2C(=NC3=C2N=CN=C3Cl)C#CC4=CC=CC=C4

InChI

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