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

Systemtic Name: 6-chloranyl-9-[(E)-4-diethoxyphosphoryl-2-(oxan-2-yloxy)but-1-enyl]purin-2-amine Openeye Name: 6-chloro-9-[(E)-4-diethoxyphosphoryl-2-tetrahydropyran-2-yloxy-but-1-enyl]purin-2-amine CAS Name: 6-chloro-9-[(E)-4-diethoxyphosphoryl-2-(2-oxanyloxy)but-1-enyl]-2-purinamine IUPAC Name: 6-chloro-9-[(E)-4-diethoxyphosphoryl-2-(oxan-2-yloxy)but-1-enyl]purin-2-amine Traditional Name: [6-chloro-9-[(E)-4-diethoxyphosphoryl-2-tetrahydropyran-2-yloxy-but-1-enyl]purin-2-yl]amine Formula: C18H27ClN5O5P MolecularWeight: 459.864241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(=CN1C=NC2=C1N=C(N=C2Cl)N)OC3CCCCO3)OCC

Isomeric SMILES

CCOP(=O)(CC/C(=C\N1C=NC2=C1N=C(N=C2Cl)N)/OC3CCCCO3)OCC

InChI

InChI=1S/C18H27ClN5O5P/c1-3-27-30(25,28-4-2)10-8-13(29-14-7-5-6-9-26-14)11-24-12-21-15-16(19)22-18(20)23-17(15)24/h11-12,14H,3-10H2,1-2H3,(H2,20,22,23)/b13-11+