2-azanyl-9-(6-diethoxyphosphorylhexoxymethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(6-diethoxyphosphorylhexoxymethyl)-3H-purin-6-one Openeye Name: 2-amino-9-(6-diethoxyphosphorylhexoxymethyl)-3H-purin-6-one CAS Name: 2-amino-9-(6-diethoxyphosphorylhexoxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(6-diethoxyphosphorylhexoxymethyl)-3H-purin-6-one Traditional Name: 2-amino-9-(6-diethoxyphosphorylhexoxymethyl)-3H-purin-6-one Formula: C16H28N5O5P MolecularWeight: 401.397781

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCCCOCN1C=NC2=C1NC(=NC2=O)N)OCC

Isomeric SMILES

CCOP(=O)(CCCCCCOCN1C=NC2=C1NC(=NC2=O)N)OCC

InChI

InChI=1S/C16H28N5O5P/c1-3-25-27(23,26-4-2)10-8-6-5-7-9-24-12-21-11-18-13-14(21)19-16(17)20-15(13)22/h11H,3-10,12H2,1-2H3,(H3,17,19,20,22)