2-(6-aminopurin-9-yl)-5-(2-bromoethylsulfanylmethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(2-bromoethylsulfanylmethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(2-bromoethylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[(2-bromoethylthio)methyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(2-bromoethylsulfanylmethyl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[(2-bromoethylthio)methyl]tetrahydrofuran-3,4-diol Formula: C12H16BrN5O3S MolecularWeight: 390.25614

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CSCCBr)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CSCCBr)O)O

InChI

InChI=1S/C12H16BrN5O3S/c13-1-2-22-3-6-8(19)9(20)12(21-6)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19-20H,1-3H2,(H2,14,15,16)