9-[(E)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-3-enyl]purin-6-amine

Systemtic Name: 9-[(E)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-3-enyl]purin-6-amine Openeye Name: 9-[(E)-4-diethoxyphosphoryl-1-tetrahydropyran-2-yloxy-but-3-enyl]purin-6-amine CAS Name: 9-[(E)-4-diethoxyphosphoryl-1-(2-oxanyloxy)but-3-enyl]-6-purinamine IUPAC Name: 9-[(E)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-3-enyl]purin-6-amine Traditional Name: [9-[(E)-4-diethoxyphosphoryl-1-tetrahydropyran-2-yloxy-but-3-enyl]purin-6-yl]amine Formula: C18H28N5O5P MolecularWeight: 425.419181

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CCC(N1C=NC2=C1N=CN=C2N)OC3CCCCO3)OCC

Isomeric SMILES

CCOP(=O)(/C=C/CC(N1C=NC2=C1N=CN=C2N)OC3CCCCO3)OCC

InChI

InChI=1S/C18H28N5O5P/c1-3-26-29(24,27-4-2)11-7-8-14(28-15-9-5-6-10-25-15)23-13-22-16-17(19)20-12-21-18(16)23/h7,11-15H,3-6,8-10H2,1-2H3,(H2,19,20,21)/b11-7+