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[(E)-5-(6-aminopurin-9-yl)pent-3-enoxy]methylphosphonic acid

[(E)-5-(6-aminopurin-9-yl)pent-3-enoxy]methylphosphonic acid

Systemtic Name:[(E)-5-(6-aminopurin-9-yl)pent-3-enoxy]methylphosphonic acid
Openeye Name:[(E)-5-(6-aminopurin-9-yl)pent-3-enoxy]methylphosphonic acid
CAS Name:[(E)-5-(6-aminopurin-9-yl)pent-3-enoxy]methylphosphonic acid
IUPAC Name:[(E)-5-(6-aminopurin-9-yl)pent-3-enoxy]methylphosphonic acid
Traditional Name:[(E)-5-adenin-9-ylpent-3-enoxy]methylphosphonic acid
Formula: C11H16N5O4P
MolecularWeight: 313.249601
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC=CCCOCP(=O)(O)O


Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C/C=C/CCOCP(=O)(O)O


InChI

InChI=1S/C11H16N5O4P/c12-10-9-11(14-6-13-10)16(7-15-9)4-2-1-3-5-20-8-21(17,18)19/h1-2,6-7H,3-5,8H2,(H2,12,13,14)(H2,17,18,19)/b2-1+


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