2-azanyl-6-[9-but-2-ynyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclohexan-1-ol

Systemtic Name: 2-azanyl-6-[9-but-2-ynyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclohexan-1-ol Openeye Name: 2-amino-6-[9-but-2-ynyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclohexanol CAS Name: 2-amino-6-[9-but-2-ynyl-8-(3-fluorophenyl)-2-purinyl]-1-ethynyl-1-cyclohexanol IUPAC Name: 2-amino-6-[9-but-2-ynyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynylcyclohexan-1-ol Traditional Name: 2-amino-6-[9-but-2-ynyl-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclohexanol Formula: C23H22FN5O MolecularWeight: 403.452083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC(=CC=C4)F

Isomeric SMILES

CC#CCN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H22FN5O/c1-3-5-12-29-21(15-8-6-9-16(24)13-15)27-18-14-26-20(28-22(18)29)17-10-7-11-19(25)23(17,30)4-2/h2,6,8-9,13-14,17,19,30H,7,10-12,25H2,1H3