2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine

Systemtic Name: 2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine Openeye Name: 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]purin-6-amine CAS Name: 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(propan-2-ylamino)propyl]-6-purinamine IUPAC Name: 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine Traditional Name: 3-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]propyl-isopropyl-amine Formula: C19H22FIN6O2 MolecularWeight: 512.319853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCN1C(=NC2=C1N=C(N=C2N)F)CC3=CC4=C(C=C3I)OCO4

Isomeric SMILES

CC(C)NCCCN1C(=NC2=C1N=C(N=C2N)F)CC3=CC4=C(C=C3I)OCO4

InChI

InChI=1S/C19H22FIN6O2/c1-10(2)23-4-3-5-27-15(24-16-17(22)25-19(20)26-18(16)27)7-11-6-13-14(8-12(11)21)29-9-28-13/h6,8,10,23H,3-5,7,9H2,1-2H3,(H2,22,25,26)