2-chloranyl-9-[5-diethoxyphosphoryl-2-(3-diethoxyphosphorylpropyl)pentyl]-N-methyl-purin-6-amine

Systemtic Name: 2-chloranyl-9-[5-diethoxyphosphoryl-2-(3-diethoxyphosphorylpropyl)pentyl]-N-methyl-purin-6-amine Openeye Name: 2-chloro-9-[5-diethoxyphosphoryl-2-(3-diethoxyphosphorylpropyl)pentyl]-N-methyl-purin-6-amine CAS Name: 2-chloro-9-[5-diethoxyphosphoryl-2-(3-diethoxyphosphorylpropyl)pentyl]-N-methyl-6-purinamine IUPAC Name: 2-chloro-9-[5-diethoxyphosphoryl-2-(3-diethoxyphosphorylpropyl)pentyl]-N-methylpurin-6-amine Traditional Name: [2-chloro-9-[5-diethoxyphosphoryl-2-(3-diethoxyphosphorylpropyl)pentyl]purin-6-yl]-methyl-amine Formula: C22H40ClN5O6P2 MolecularWeight: 567.983422

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCC(CCCP(=O)(OCC)OCC)CN1C=NC2=C1N=C(N=C2NC)Cl)OCC

Isomeric SMILES

CCOP(=O)(CCCC(CCCP(=O)(OCC)OCC)CN1C=NC2=C1N=C(N=C2NC)Cl)OCC

InChI

InChI=1S/C22H40ClN5O6P2/c1-6-31-35(29,32-7-2)14-10-12-18(13-11-15-36(30,33-8-3)34-9-4)16-28-17-25-19-20(24-5)26-22(23)27-21(19)28/h17-18H,6-16H2,1-5H3,(H,24,26,27)