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

Systemtic Name: 2-[2-[6-azanyl-9-(cyclopropylmethyl)purin-2-yl]ethynyl]adamantan-1-ol Openeye Name: 2-[2-[6-amino-9-(cyclopropylmethyl)purin-2-yl]ethynyl]adamantan-1-ol CAS Name: 2-[2-[6-amino-9-(cyclopropylmethyl)-2-purinyl]ethynyl]-1-adamantanol IUPAC Name: 2-[2-[6-amino-9-(cyclopropylmethyl)purin-2-yl]ethynyl]adamantan-1-ol Traditional Name: 2-[2-[6-amino-9-(cyclopropylmethyl)purin-2-yl]ethynyl]adamantan-1-ol Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C=NC3=C2N=C(N=C3N)C#CC4C5CC6CC(C5)CC4(C6)O

Isomeric SMILES

C1CC1CN2C=NC3=C2N=C(N=C3N)C#CC4C5CC6CC(C5)CC4(C6)O

InChI

InChI=1S/C21H25N5O/c22-19-18-20(26(11-23-18)10-12-1-2-12)25-17(24-19)4-3-16-15-6-13-5-14(7-15)9-21(16,27)8-13/h11-16,27H,1-2,5-10H2,(H2,22,24,25)