6-chloranyl-8-[(E)-5-diethoxyphosphoryl-3-(oxan-2-yloxymethyl)pent-4-enyl]-7H-purin-2-amine

Systemtic Name: 6-chloranyl-8-[(E)-5-diethoxyphosphoryl-3-(oxan-2-yloxymethyl)pent-4-enyl]-7H-purin-2-amine Openeye Name: 6-chloro-8-[(E)-5-diethoxyphosphoryl-3-(tetrahydropyran-2-yloxymethyl)pent-4-enyl]-7H-purin-2-amine CAS Name: 6-chloro-8-[(E)-5-diethoxyphosphoryl-3-(2-oxanyloxymethyl)pent-4-enyl]-7H-purin-2-amine IUPAC Name: 6-chloro-8-[(E)-5-diethoxyphosphoryl-3-(oxan-2-yloxymethyl)pent-4-enyl]-7H-purin-2-amine Traditional Name: [6-chloro-8-[(E)-5-diethoxyphosphoryl-3-(tetrahydropyran-2-yloxymethyl)pent-4-enyl]-7H-purin-2-yl]amine Formula: C20H31ClN5O5P MolecularWeight: 487.917401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CC(CCC1=NC2=C(N1)C(=NC(=N2)N)Cl)COC3CCCCO3)OCC

Isomeric SMILES

CCOP(=O)(/C=C/C(CCC1=NC2=C(N1)C(=NC(=N2)N)Cl)COC3CCCCO3)OCC

InChI

InChI=1S/C20H31ClN5O5P/c1-3-30-32(27,31-4-2)12-10-14(13-29-16-7-5-6-11-28-16)8-9-15-23-17-18(21)25-20(22)26-19(17)24-15/h10,12,14,16H,3-9,11,13H2,1-2H3,(H3,22,23,24,25,26)/b12-10+