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

Systemtic Name: 2-[2-[6-azanyl-9-(2-methylpropyl)purin-2-yl]ethynyl]adamantan-1-ol Openeye Name: 2-[2-(6-amino-9-isobutyl-purin-2-yl)ethynyl]adamantan-1-ol CAS Name: 2-[2-[6-amino-9-(2-methylpropyl)-2-purinyl]ethynyl]-1-adamantanol IUPAC Name: 2-[2-[6-amino-9-(2-methylpropyl)purin-2-yl]ethynyl]adamantan-1-ol Traditional Name: 2-[2-(6-amino-9-isobutyl-purin-2-yl)ethynyl]adamantan-1-ol Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1N=C(N=C2N)C#CC3C4CC5CC(C4)CC3(C5)O

Isomeric SMILES

CC(C)CN1C=NC2=C1N=C(N=C2N)C#CC3C4CC5CC(C4)CC3(C5)O

InChI

InChI=1S/C21H27N5O/c1-12(2)10-26-11-23-18-19(22)24-17(25-20(18)26)4-3-16-15-6-13-5-14(7-15)9-21(16,27)8-13/h11-16,27H,5-10H2,1-2H3,(H2,22,24,25)