2-(6-aminopurin-9-yl)-5-(1-bromoethylsulfanylmethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(1-bromoethylsulfanylmethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(1-bromoethylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[(1-bromoethylthio)methyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(1-bromoethylsulfanylmethyl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[(1-bromoethylthio)methyl]tetrahydrofuran-3,4-diol Formula: C12H16BrN5O3S MolecularWeight: 390.25614

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Descriptors Computed from Structure

Canonical SMILES:

CC(SCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)Br

Isomeric SMILES

CC(SCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)Br

InChI

InChI=1S/C12H16BrN5O3S/c1-5(13)22-2-6-8(19)9(20)12(21-6)18-4-17-7-10(14)15-3-16-11(7)18/h3-6,8-9,12,19-20H,2H2,1H3,(H2,14,15,16)