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

Systemtic Name: 2-[2-[6-azanyl-9-(cyclopentylmethyl)purin-2-yl]ethynyl]adamantan-1-ol Openeye Name: 2-[2-[6-amino-9-(cyclopentylmethyl)purin-2-yl]ethynyl]adamantan-1-ol CAS Name: 2-[2-[6-amino-9-(cyclopentylmethyl)-2-purinyl]ethynyl]-1-adamantanol IUPAC Name: 2-[2-[6-amino-9-(cyclopentylmethyl)purin-2-yl]ethynyl]adamantan-1-ol Traditional Name: 2-[2-[6-amino-9-(cyclopentylmethyl)purin-2-yl]ethynyl]adamantan-1-ol Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CN2C=NC3=C2N=C(N=C3N)C#CC4C5CC6CC(C5)CC4(C6)O

Isomeric SMILES

C1CCC(C1)CN2C=NC3=C2N=C(N=C3N)C#CC4C5CC6CC(C5)CC4(C6)O

InChI

InChI=1S/C23H29N5O/c24-21-20-22(28(13-25-20)12-14-3-1-2-4-14)27-19(26-21)6-5-18-17-8-15-7-16(9-17)11-23(18,29)10-15/h13-18,29H,1-4,7-12H2,(H2,24,26,27)