1-[(E)-5-diethoxyphosphoryl-3-(oxan-2-yloxymethyl)pent-4-enyl]purin-6-amine

Systemtic Name: 1-[(E)-5-diethoxyphosphoryl-3-(oxan-2-yloxymethyl)pent-4-enyl]purin-6-amine Openeye Name: 1-[(E)-5-diethoxyphosphoryl-3-(tetrahydropyran-2-yloxymethyl)pent-4-enyl]purin-6-amine CAS Name: 1-[(E)-5-diethoxyphosphoryl-3-(2-oxanyloxymethyl)pent-4-enyl]-6-purinamine IUPAC Name: 1-[(E)-5-diethoxyphosphoryl-3-(oxan-2-yloxymethyl)pent-4-enyl]purin-6-amine Traditional Name: [1-[(E)-5-diethoxyphosphoryl-3-(tetrahydropyran-2-yloxymethyl)pent-4-enyl]purin-6-yl]amine Formula: C20H32N5O5P MolecularWeight: 453.472341

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CC(CCN1C=NC2=NC=NC2=C1N)COC3CCCCO3)OCC

Isomeric SMILES

CCOP(=O)(/C=C/C(CCN1C=NC2=NC=NC2=C1N)COC3CCCCO3)OCC

InChI

InChI=1S/C20H32N5O5P/c1-3-29-31(26,30-4-2)12-9-16(13-28-17-7-5-6-11-27-17)8-10-25-15-24-20-18(19(25)21)22-14-23-20/h9,12,14-17H,3-8,10-11,13,21H2,1-2H3/b12-9+