2-bromanyl-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-6-methylsulfanyl-purine

Systemtic Name: 2-bromanyl-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-6-methylsulfanyl-purine Openeye Name: 2-bromo-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]-6-methylsulfanyl-purine CAS Name: 2-bromo-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]-2-oxolanyl]-6-(methylthio)purine IUPAC Name: 2-bromo-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-6-methylsulfanylpurine Traditional Name: 2-bromo-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]-6-(methylthio)purine Formula: C25H25BrN4O3S MolecularWeight: 541.46

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4SC)Br)OC5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4SC)Br)OC5=CC=C(C=C5)C

InChI

InChI=1S/C25H25BrN4O3S/c1-15-4-8-17(9-5-15)31-13-20-19(32-18-10-6-16(2)7-11-18)12-21(33-20)30-14-27-22-23(30)28-25(26)29-24(22)34-3/h4-11,14,19-21H,12-13H2,1-3H3