2-[2-[6-azanyl-9-(3-oxidanylpropyl)purin-2-yl]ethynyl]adamantan-2-ol

Systemtic Name: 2-[2-[6-azanyl-9-(3-oxidanylpropyl)purin-2-yl]ethynyl]adamantan-2-ol Openeye Name: 2-[2-[6-amino-9-(3-hydroxypropyl)purin-2-yl]ethynyl]adamantan-2-ol CAS Name: 2-[2-[6-amino-9-(3-hydroxypropyl)-2-purinyl]ethynyl]-2-adamantanol IUPAC Name: 2-[2-[6-amino-9-(3-hydroxypropyl)purin-2-yl]ethynyl]adamantan-2-ol Traditional Name: 2-[2-[6-amino-9-(3-hydroxypropyl)purin-2-yl]ethynyl]adamantan-2-ol Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(C#CC4=NC5=C(C(=N4)N)N=CN5CCCO)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(C#CC4=NC5=C(C(=N4)N)N=CN5CCCO)O

InChI

InChI=1S/C20H25N5O2/c21-18-17-19(25(11-22-17)4-1-5-26)24-16(23-18)2-3-20(27)14-7-12-6-13(9-14)10-15(20)8-12/h11-15,26-27H,1,4-10H2,(H2,21,23,24)