1-[2-[4-(6-aminopurin-9-yl)butoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone

Systemtic Name: 1-[2-[4-(6-aminopurin-9-yl)butoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone Openeye Name: 1-[2-[4-(6-aminopurin-9-yl)butoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone CAS Name: 1-[2-[4-(6-aminopurin-9-yl)butoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone IUPAC Name: 1-[2-[4-(6-aminopurin-9-yl)butoxy]-5-(diethoxyphosphorylmethyl)phenyl]ethanone Traditional Name: 1-[2-(4-adenin-9-ylbutoxy)-5-(diethoxyphosphorylmethyl)phenyl]ethanone Formula: C22H30N5O5P MolecularWeight: 475.477861

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC(=C(C=C1)OCCCCN2C=NC3=C2N=CN=C3N)C(=O)C)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC(=C(C=C1)OCCCCN2C=NC3=C2N=CN=C3N)C(=O)C)OCC

InChI

InChI=1S/C22H30N5O5P/c1-4-31-33(29,32-5-2)13-17-8-9-19(18(12-17)16(3)28)30-11-7-6-10-27-15-26-20-21(23)24-14-25-22(20)27/h8-9,12,14-15H,4-7,10-11,13H2,1-3H3,(H2,23,24,25)