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

Systemtic Name: 2-[2-(6-azanyl-9-prop-2-ynyl-purin-2-yl)ethynyl]adamantan-1-ol Openeye Name: 2-[2-(6-amino-9-prop-2-ynyl-purin-2-yl)ethynyl]adamantan-1-ol CAS Name: 2-[2-(6-amino-9-prop-2-ynyl-2-purinyl)ethynyl]-1-adamantanol IUPAC Name: 2-[2-(6-amino-9-prop-2-ynylpurin-2-yl)ethynyl]adamantan-1-ol Traditional Name: 2-[2-(6-amino-9-propargyl-purin-2-yl)ethynyl]adamantan-1-ol Formula: C20H21N5O MolecularWeight: 347.41364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC2=C1N=C(N=C2N)C#CC3C4CC5CC(C4)CC3(C5)O

Isomeric SMILES

C#CCN1C=NC2=C1N=C(N=C2N)C#CC3C4CC5CC(C4)CC3(C5)O

InChI

InChI=1S/C20H21N5O/c1-2-5-25-11-22-17-18(21)23-16(24-19(17)25)4-3-15-14-7-12-6-13(8-14)10-20(15,26)9-12/h1,11-15,26H,5-10H2,(H2,21,23,24)