(E)-1-(6-aminopurin-9-yl)oxy-4-diethoxyphosphoryl-but-3-en-2-ol

Systemtic Name: (E)-1-(6-aminopurin-9-yl)oxy-4-diethoxyphosphoryl-but-3-en-2-ol Openeye Name: (E)-1-(6-aminopurin-9-yl)oxy-4-diethoxyphosphoryl-but-3-en-2-ol CAS Name: (E)-1-(6-aminopurin-9-yl)oxy-4-diethoxyphosphoryl-3-buten-2-ol IUPAC Name: (E)-1-(6-aminopurin-9-yl)oxy-4-diethoxyphosphorylbut-3-en-2-ol Traditional Name: (E)-1-adenin-9-yloxy-4-diethoxyphosphoryl-but-3-en-2-ol Formula: C13H20N5O5P MolecularWeight: 357.302161

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CC(CON1C=NC2=C1N=CN=C2N)O)OCC

Isomeric SMILES

CCOP(=O)(/C=C/C(CON1C=NC2=C1N=CN=C2N)O)OCC

InChI

InChI=1S/C13H20N5O5P/c1-3-22-24(20,23-4-2)6-5-10(19)7-21-18-9-17-11-12(14)15-8-16-13(11)18/h5-6,8-10,19H,3-4,7H2,1-2H3,(H2,14,15,16)/b6-5+