N-[1-(6-diethoxyphosphorylhexoxymethyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]ethanamide

Systemtic Name: N-[1-(6-diethoxyphosphorylhexoxymethyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]ethanamide Openeye Name: N-[1-(6-diethoxyphosphorylhexoxymethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]acetamide CAS Name: N-[1-(6-diethoxyphosphorylhexoxymethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]acetamide IUPAC Name: N-[1-(6-diethoxyphosphorylhexoxymethyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]acetamide Traditional Name: N-[1-(6-diethoxyphosphorylhexoxymethyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]acetamide Formula: C18H30N5O6P MolecularWeight: 443.434461

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCCCOCN1C2=NC(=NC(=O)C2=CN1)NC(=O)C)OCC

Isomeric SMILES

CCOP(=O)(CCCCCCOCN1C2=NC(=NC(=O)C2=CN1)NC(=O)C)OCC

InChI

InChI=1S/C18H30N5O6P/c1-4-28-30(26,29-5-2)11-9-7-6-8-10-27-13-23-16-15(12-19-23)17(25)22-18(21-16)20-14(3)24/h12,19H,4-11,13H2,1-3H3,(H,20,22,24,25)