2-[2-[6-azanyl-9-(cyclobutylmethyl)purin-2-yl]ethynyl]adamantan-1-ol

Systemtic Name: 2-[2-[6-azanyl-9-(cyclobutylmethyl)purin-2-yl]ethynyl]adamantan-1-ol Openeye Name: 2-[2-[6-amino-9-(cyclobutylmethyl)purin-2-yl]ethynyl]adamantan-1-ol CAS Name: 2-[2-[6-amino-9-(cyclobutylmethyl)-2-purinyl]ethynyl]-1-adamantanol IUPAC Name: 2-[2-[6-amino-9-(cyclobutylmethyl)purin-2-yl]ethynyl]adamantan-1-ol Traditional Name: 2-[2-[6-amino-9-(cyclobutylmethyl)purin-2-yl]ethynyl]adamantan-1-ol Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN2C=NC3=C2N=C(N=C3N)C#CC4C5CC6CC(C5)CC4(C6)O

Isomeric SMILES

C1CC(C1)CN2C=NC3=C2N=C(N=C3N)C#CC4C5CC6CC(C5)CC4(C6)O

InChI

InChI=1S/C22H27N5O/c23-20-19-21(27(12-24-19)11-13-2-1-3-13)26-18(25-20)5-4-17-16-7-14-6-15(8-16)10-22(17,28)9-14/h12-17,28H,1-3,6-11H2,(H2,23,25,26)