[3-[2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-6-oxidanylidene-3H-purin-9-yl]-6-phenyl-hexan-2-yl] ethanoate

Systemtic Name: [3-[2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-6-oxidanylidene-3H-purin-9-yl]-6-phenyl-hexan-2-yl] ethanoate Openeye Name: [2-[2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-6-oxo-3H-purin-9-yl]-1-methyl-5-phenyl-pentyl] acetate CAS Name: acetic acid [3-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-6-oxo-3H-purin-9-yl]-6-phenylhexan-2-yl] ester IUPAC Name: [3-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-6-oxo-3H-purin-9-yl]-6-phenylhexan-2-yl] acetate Traditional Name: acetic acid [2-[2-[4-(difluoromethoxy)-3-methoxy-benzyl]-6-keto-3H-purin-9-yl]-1-methyl-5-phenyl-pentyl] ester Formula: C28H30F2N4O5 MolecularWeight: 540.558406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)CC4=CC(=C(C=C4)OC(F)F)OC)OC(=O)C

Isomeric SMILES

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)CC4=CC(=C(C=C4)OC(F)F)OC)OC(=O)C

InChI

InChI=1S/C28H30F2N4O5/c1-17(38-18(2)35)21(11-7-10-19-8-5-4-6-9-19)34-16-31-25-26(34)32-24(33-27(25)36)15-20-12-13-22(39-28(29)30)23(14-20)37-3/h4-6,8-9,12-14,16-17,21,28H,7,10-11,15H2,1-3H3,(H,32,33,36)