1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cycloheptan-1-ol

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cycloheptan-1-ol Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cycloheptanol CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-1-cycloheptanol IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cycloheptan-1-ol Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cycloheptanol Formula: C21H22FN5O MolecularWeight: 379.430683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCCCC3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCCCC3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN5O/c1-27-19(14-7-6-8-15(22)13-14)26-17-18(23)24-16(25-20(17)27)9-12-21(28)10-4-2-3-5-11-21/h6-8,13,28H,2-5,10-11H2,1H3,(H2,23,24,25)