1-[2-[3-(6-aminopurin-9-yl)propoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone

Systemtic Name: 1-[2-[3-(6-aminopurin-9-yl)propoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone Openeye Name: 1-[2-[3-(6-aminopurin-9-yl)propoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone CAS Name: 1-[2-[3-(6-aminopurin-9-yl)propoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone IUPAC Name: 1-[2-[3-(6-aminopurin-9-yl)propoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone Traditional Name: 1-[2-(3-adenin-9-ylpropoxy)-5-(diethoxyphosphorylmethyl)phenyl]ethanone Formula: C21H28N5O5P MolecularWeight: 461.451281

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC(=C(C=C1)OCCCN2C=NC3=C2N=CN=C3N)C(=O)C)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC(=C(C=C1)OCCCN2C=NC3=C2N=CN=C3N)C(=O)C)OCC

InChI

InChI=1S/C21H28N5O5P/c1-4-30-32(28,31-5-2)12-16-7-8-18(17(11-16)15(3)27)29-10-6-9-26-14-25-19-20(22)23-13-24-21(19)26/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3,(H2,22,23,24)