2-fluoranyl-9-pent-3-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine

Systemtic Name: 2-fluoranyl-9-pent-3-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 2-fluoro-9-pent-3-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 2-fluoro-9-pent-3-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 2-fluoro-9-pent-3-ynyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [2-fluoro-9-pent-3-ynyl-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C20H22FN5O3 MolecularWeight: 399.418783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCCN1C(=NC2=C1N=C(N=C2N)F)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC#CCCN1C(=NC2=C1N=C(N=C2N)F)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H22FN5O3/c1-5-6-7-8-26-15(23-16-18(22)24-20(21)25-19(16)26)11-12-9-13(27-2)17(29-4)14(10-12)28-3/h9-10H,7-8,11H2,1-4H3,(H2,22,24,25)