1-[2-[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: 1-[2-[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-(benzylamino)-9-isopropyl-purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-(benzylamino)-9-isopropyl-purin-2-yl]ethynyl]cyclohexanol Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)C#CC4(CCCCC4)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)C#CC4(CCCCC4)O

InChI

InChI=1S/C23H27N5O/c1-17(2)28-16-25-20-21(24-15-18-9-5-3-6-10-18)26-19(27-22(20)28)11-14-23(29)12-7-4-8-13-23/h3,5-6,9-10,16-17,29H,4,7-8,12-13,15H2,1-2H3,(H,24,26,27)