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

Systemtic Name: 6-chloranyl-9-[(Z)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-1-enyl]purin-2-amine Openeye Name: 6-chloro-9-[(Z)-4-diethoxyphosphoryl-1-tetrahydropyran-2-yloxy-but-1-enyl]purin-2-amine CAS Name: 6-chloro-9-[(Z)-4-diethoxyphosphoryl-1-(2-oxanyloxy)but-1-enyl]-2-purinamine IUPAC Name: 6-chloro-9-[(Z)-4-diethoxyphosphoryl-1-(oxan-2-yloxy)but-1-enyl]purin-2-amine Traditional Name: [6-chloro-9-[(Z)-4-diethoxyphosphoryl-1-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=C(N1C=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)11-7-8-13(29-14-9-5-6-10-26-14)24-12-21-15-16(19)22-18(20)23-17(15)24/h8,12,14H,3-7,9-11H2,1-2H3,(H2,20,22,23)/b13-8-