2-[2-(6-azanyl-9-but-3-ynyl-purin-2-yl)ethynyl]adamantan-1-ol

Systemtic Name: 2-[2-(6-azanyl-9-but-3-ynyl-purin-2-yl)ethynyl]adamantan-1-ol Openeye Name: 2-[2-(6-amino-9-but-3-ynyl-purin-2-yl)ethynyl]adamantan-1-ol CAS Name: 2-[2-(6-amino-9-but-3-ynyl-2-purinyl)ethynyl]-1-adamantanol IUPAC Name: 2-[2-(6-amino-9-but-3-ynylpurin-2-yl)ethynyl]adamantan-1-ol Traditional Name: 2-[2-(6-amino-9-but-3-ynyl-purin-2-yl)ethynyl]adamantan-1-ol Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O/c1-2-3-6-26-12-23-18-19(22)24-17(25-20(18)26)5-4-16-15-8-13-7-14(9-15)11-21(16,27)10-13/h1,12-16,27H,3,6-11H2,(H2,22,24,25)