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

Systemtic Name: 2-[2-[6-azanyl-9-(cyclohexylmethyl)purin-2-yl]ethynyl]adamantan-2-ol Openeye Name: 2-[2-[6-amino-9-(cyclohexylmethyl)purin-2-yl]ethynyl]adamantan-2-ol CAS Name: 2-[2-[6-amino-9-(cyclohexylmethyl)-2-purinyl]ethynyl]-2-adamantanol IUPAC Name: 2-[2-[6-amino-9-(cyclohexylmethyl)purin-2-yl]ethynyl]adamantan-2-ol Traditional Name: 2-[2-[6-amino-9-(cyclohexylmethyl)purin-2-yl]ethynyl]adamantan-2-ol Formula: C24H31N5O MolecularWeight: 405.53584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C=NC3=C2N=C(N=C3N)C#CC4(C5CC6CC(C5)CC4C6)O

Isomeric SMILES

C1CCC(CC1)CN2C=NC3=C2N=C(N=C3N)C#CC4(C5CC6CC(C5)CC4C6)O

InChI

InChI=1S/C24H31N5O/c25-22-21-23(29(14-26-21)13-15-4-2-1-3-5-15)28-20(27-22)6-7-24(30)18-9-16-8-17(11-18)12-19(24)10-16/h14-19,30H,1-5,8-13H2,(H2,25,27,28)