1-[2-[6-azanyl-8-(1-benzofuran-2-yl)-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: 1-[2-[6-azanyl-8-(1-benzofuran-2-yl)-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-8-(benzofuran-2-yl)-9-methyl-purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-8-(2-benzofuranyl)-9-methyl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-8-(1-benzofuran-2-yl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-8-(benzofuran-2-yl)-9-methyl-purin-2-yl]ethynyl]cyclohexanol Formula: C22H21N5O2 MolecularWeight: 387.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC5=CC=CC=C5O4

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H21N5O2/c1-27-20(16-13-14-7-3-4-8-15(14)29-16)26-18-19(23)24-17(25-21(18)27)9-12-22(28)10-5-2-6-11-22/h3-4,7-8,13,28H,2,5-6,10-11H2,1H3,(H2,23,24,25)