1-[2-[2-(6-aminopurin-9-yl)ethoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone

Systemtic Name: 1-[2-[2-(6-aminopurin-9-yl)ethoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone Openeye Name: 1-[2-[2-(6-aminopurin-9-yl)ethoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone CAS Name: 1-[2-[2-(6-aminopurin-9-yl)ethoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone IUPAC Name: 1-[2-[2-(6-aminopurin-9-yl)ethoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone Traditional Name: 1-[2-(2-adenin-9-ylethoxy)-5-(diethoxyphosphorylmethyl)phenyl]ethanone Formula: C20H26N5O5P MolecularWeight: 447.424701

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC(=C(C=C1)OCCN2C=NC3=C2N=CN=C3N)C(=O)C)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC(=C(C=C1)OCCN2C=NC3=C2N=CN=C3N)C(=O)C)OCC

InChI

InChI=1S/C20H26N5O5P/c1-4-29-31(27,30-5-2)11-15-6-7-17(16(10-15)14(3)26)28-9-8-25-13-24-18-19(21)22-12-23-20(18)25/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H2,21,22,23)