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

Systemtic Name: 2-[2-[6-azanyl-9-(3-thiophen-2-ylprop-2-ynyl)purin-2-yl]ethynyl]adamantan-1-ol Openeye Name: 2-[2-[6-amino-9-[3-(2-thienyl)prop-2-ynyl]purin-2-yl]ethynyl]adamantan-1-ol CAS Name: 2-[2-[6-amino-9-(3-thiophen-2-ylprop-2-ynyl)-2-purinyl]ethynyl]-1-adamantanol IUPAC Name: 2-[2-[6-amino-9-(3-thiophen-2-ylprop-2-ynyl)purin-2-yl]ethynyl]adamantan-1-ol Traditional Name: 2-[2-[6-amino-9-[3-(2-thienyl)prop-2-ynyl]purin-2-yl]ethynyl]adamantan-1-ol Formula: C24H23N5OS MolecularWeight: 429.53732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3C#CC4=NC5=C(C(=N4)N)N=CN5CC#CC6=CC=CS6)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3C#CC4=NC5=C(C(=N4)N)N=CN5CC#CC6=CC=CS6)O

InChI

InChI=1S/C24H23N5OS/c25-22-21-23(29(14-26-21)7-1-3-18-4-2-8-31-18)28-20(27-22)6-5-19-17-10-15-9-16(11-17)13-24(19,30)12-15/h2,4,8,14-17,19,30H,7,9-13H2,(H2,25,27,28)