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

Systemtic Name: 2-[2-(6-azanyl-9-propan-2-yl-purin-2-yl)ethynyl]adamantan-2-ol Openeye Name: 2-[2-(6-amino-9-isopropyl-purin-2-yl)ethynyl]adamantan-2-ol CAS Name: 2-[2-(6-amino-9-propan-2-yl-2-purinyl)ethynyl]-2-adamantanol IUPAC Name: 2-[2-(6-amino-9-propan-2-ylpurin-2-yl)ethynyl]adamantan-2-ol Traditional Name: 2-[2-(6-amino-9-isopropyl-purin-2-yl)ethynyl]adamantan-2-ol Formula: C20H25N5O MolecularWeight: 351.4454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2N)C#CC3(C4CC5CC(C4)CC3C5)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2N)C#CC3(C4CC5CC(C4)CC3C5)O

InChI

InChI=1S/C20H25N5O/c1-11(2)25-10-22-17-18(21)23-16(24-19(17)25)3-4-20(26)14-6-12-5-13(8-14)9-15(20)7-12/h10-15,26H,5-9H2,1-2H3,(H2,21,23,24)