6-chloranyl-9-[(E)-5-diethoxyphosphoryl-1-(oxan-3-yloxy)pent-4-enyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[(E)-5-diethoxyphosphoryl-1-(oxan-3-yloxy)pent-4-enyl]purin-2-amine Openeye Name: 6-chloro-9-[(E)-5-diethoxyphosphoryl-1-tetrahydropyran-3-yloxy-pent-4-enyl]purin-2-amine CAS Name: 6-chloro-9-[(E)-5-diethoxyphosphoryl-1-(3-oxanyloxy)pent-4-enyl]-2-purinamine IUPAC Name: 6-chloro-9-[(E)-5-diethoxyphosphoryl-1-(oxan-3-yloxy)pent-4-enyl]purin-2-amine Traditional Name: [6-chloro-9-[(E)-5-diethoxyphosphoryl-1-tetrahydropyran-3-yloxy-pent-4-enyl]purin-2-yl]amine Formula: C19H29ClN5O5P MolecularWeight: 473.890821

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CCCC(N1C=NC2=C1N=C(N=C2Cl)N)OC3CCCOC3)OCC

Isomeric SMILES

CCOP(=O)(/C=C/CCC(N1C=NC2=C1N=C(N=C2Cl)N)OC3CCCOC3)OCC

InChI

InChI=1S/C19H29ClN5O5P/c1-3-28-31(26,29-4-2)11-6-5-9-15(30-14-8-7-10-27-12-14)25-13-22-16-17(20)23-19(21)24-18(16)25/h6,11,13-15H,3-5,7-10,12H2,1-2H3,(H2,21,23,24)/b11-6+