(E)-2-[(6-aminopurin-9-yl)methyl]but-2-ene-1,4-diol

Systemtic Name: (E)-2-[(6-aminopurin-9-yl)methyl]but-2-ene-1,4-diol Openeye Name: (E)-2-[(6-aminopurin-9-yl)methyl]but-2-ene-1,4-diol CAS Name: (E)-2-[(6-aminopurin-9-yl)methyl]-2-butene-1,4-diol IUPAC Name: (E)-2-[(6-aminopurin-9-yl)methyl]but-2-ene-1,4-diol Traditional Name: (E)-2-(adenin-9-ylmethyl)but-2-ene-1,4-diol Formula: C10H13N5O2 MolecularWeight: 235.24252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC(=CCO)CO

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C/C(=C\CO)/CO

InChI

InChI=1S/C10H13N5O2/c11-9-8-10(13-5-12-9)15(6-14-8)3-7(4-17)1-2-16/h1,5-6,16-17H,2-4H2,(H2,11,12,13)/b7-1+