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

Systemtic Name: 2-[2-[6-azanyl-9-(2-oxidanylpropyl)purin-2-yl]ethynyl]adamantan-1-ol Openeye Name: 2-[2-[6-amino-9-(2-hydroxypropyl)purin-2-yl]ethynyl]adamantan-1-ol CAS Name: 2-[2-[6-amino-9-(2-hydroxypropyl)-2-purinyl]ethynyl]-1-adamantanol IUPAC Name: 2-[2-[6-amino-9-(2-hydroxypropyl)purin-2-yl]ethynyl]adamantan-1-ol Traditional Name: 2-[2-[6-amino-9-(2-hydroxypropyl)purin-2-yl]ethynyl]adamantan-1-ol Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=C(N=C2N)C#CC3C4CC5CC(C4)CC3(C5)O)O

Isomeric SMILES

CC(CN1C=NC2=C1N=C(N=C2N)C#CC3C4CC5CC(C4)CC3(C5)O)O

InChI

InChI=1S/C20H25N5O2/c1-11(26)9-25-10-22-17-18(21)23-16(24-19(17)25)3-2-15-14-5-12-4-13(6-14)8-20(15,27)7-12/h10-15,26-27H,4-9H2,1H3,(H2,21,23,24)