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

Systemtic Name: 2-[6-azanyl-2-[2-(5-bromanylthiophen-2-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[2-(5-bromo-2-thienyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[2-(5-bromo-2-thiophenyl)ethylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[2-(5-bromothiophen-2-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[2-(5-bromo-2-thienyl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H19BrN6O4S MolecularWeight: 471.32886

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)CCNC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=C(SC(=C1)Br)CCNC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C16H19BrN6O4S/c17-9-2-1-7(28-9)3-4-19-16-21-13(18)10-14(22-16)23(6-20-10)15-12(26)11(25)8(5-24)27-15/h1-2,6,8,11-12,15,24-26H,3-5H2,(H3,18,19,21,22)