2-[6-[(3-bromanyl-2,1-benzothiazol-5-yl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-[(3-bromanyl-2,1-benzothiazol-5-yl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-[(3-bromo-2,1-benzothiazol-5-yl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-[(3-bromo-2,1-benzothiazol-5-yl)methylthio]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-[(3-bromo-2,1-benzothiazol-5-yl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-[(3-bromo-2,1-benzothiazol-5-yl)methylthio]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H16BrN5O4S2 MolecularWeight: 510.38474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSC(=C2C=C1CSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)Br

Isomeric SMILES

C1=CC2=NSC(=C2C=C1CSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)Br

InChI

InChI=1S/C18H16BrN5O4S2/c19-15-9-3-8(1-2-10(9)23-30-15)5-29-17-12-16(20-6-21-17)24(7-22-12)18-14(27)13(26)11(4-25)28-18/h1-3,6-7,11,13-14,18,25-27H,4-5H2