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

Systemtic Name: 2-[2-(6-azanyl-9-propyl-purin-2-yl)ethynyl]adamantan-1-ol Openeye Name: 2-[2-(6-amino-9-propyl-purin-2-yl)ethynyl]adamantan-1-ol CAS Name: 2-[2-(6-amino-9-propyl-2-purinyl)ethynyl]-1-adamantanol IUPAC Name: 2-[2-(6-amino-9-propylpurin-2-yl)ethynyl]adamantan-1-ol Traditional Name: 2-[2-(6-amino-9-propyl-purin-2-yl)ethynyl]adamantan-1-ol Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=C(N=C2N)C#CC3C4CC5CC(C4)CC3(C5)O

Isomeric SMILES

CCCN1C=NC2=C1N=C(N=C2N)C#CC3C4CC5CC(C4)CC3(C5)O

InChI

InChI=1S/C20H25N5O/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/h11-15,26H,2,5-10H2,1H3,(H2,21,23,24)