2-[[(E)-3-diethoxyphosphorylprop-2-enoxy]methyl]-7H-purin-6-amine

Systemtic Name: 2-[[(E)-3-diethoxyphosphorylprop-2-enoxy]methyl]-7H-purin-6-amine Openeye Name: 2-[[(E)-3-diethoxyphosphorylallyloxy]methyl]-7H-purin-6-amine CAS Name: 2-[[(E)-3-diethoxyphosphorylprop-2-enoxy]methyl]-7H-purin-6-amine IUPAC Name: 2-[[(E)-3-diethoxyphosphorylprop-2-enoxy]methyl]-7H-purin-6-amine Traditional Name: [2-[[(E)-3-diethoxyphosphorylallyloxy]methyl]-7H-purin-6-yl]amine Formula: C13H20N5O4P MolecularWeight: 341.302761

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CCOCC1=NC2=C(C(=N1)N)NC=N2)OCC

Isomeric SMILES

CCOP(=O)(/C=C/COCC1=NC2=C(C(=N1)N)NC=N2)OCC

InChI

InChI=1S/C13H20N5O4P/c1-3-21-23(19,22-4-2)7-5-6-20-8-10-17-12(14)11-13(18-10)16-9-15-11/h5,7,9H,3-4,6,8H2,1-2H3,(H3,14,15,16,17,18)/b7-5+