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

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[[[(E)-4-azanylbut-2-enyl]amino]oxymethyl]oxolane-3,4-diol Openeye Name: 2-[[[(E)-4-aminobut-2-enyl]amino]oxymethyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3,4-diol CAS Name: 2-[[[(E)-4-aminobut-2-enyl]amino]oxymethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol IUPAC Name: 2-[[[(E)-4-aminobut-2-enyl]amino]oxymethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[[[(E)-4-aminobut-2-enyl]amino]oxymethyl]tetrahydrofuran-3,4-diol Formula: C14H21N7O4 MolecularWeight: 351.36104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N7O4/c15-3-1-2-4-20-24-5-8-10(22)11(23)14(25-8)21-7-19-9-12(16)17-6-18-13(9)21/h1-2,6-8,10-11,14,20,22-23H,3-5,15H2,(H2,16,17,18)/b2-1+