2-(6-aminopurin-9-yl)-5-[[[(E)-4-azanylbut-2-enyl]amino]methyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[[[(E)-4-azanylbut-2-enyl]amino]methyl]oxolane-3,4-diol Openeye Name: 2-[[[(E)-4-aminobut-2-enyl]amino]methyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3,4-diol CAS Name: 2-[[[(E)-4-aminobut-2-enyl]amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol IUPAC Name: 2-[[[(E)-4-aminobut-2-enyl]amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[[[(E)-4-aminobut-2-enyl]amino]methyl]tetrahydrofuran-3,4-diol Formula: C14H21N7O3 MolecularWeight: 335.36164

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CNCC=CCN)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CNC/C=C/CN)O)O

InChI

InChI=1S/C14H21N7O3/c15-3-1-2-4-17-5-8-10(22)11(23)14(24-8)21-7-20-9-12(16)18-6-19-13(9)21/h1-2,6-8,10-11,14,17,22-23H,3-5,15H2,(H2,16,18,19)/b2-1+