2-[6-azanyl-2-(7-bromanylheptylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-(7-bromanylheptylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(7-bromoheptylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(7-bromoheptylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(7-bromoheptylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(7-bromoheptylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H26BrN5O4S MolecularWeight: 476.38844

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)SCCCCCCCBr

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)SCCCCCCCBr

InChI

InChI=1S/C17H26BrN5O4S/c18-6-4-2-1-3-5-7-28-17-21-14(19)11-15(22-17)23(9-20-11)16-13(26)12(25)10(8-24)27-16/h9-10,12-13,16,24-26H,1-8H2,(H2,19,21,22)