[3-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-cyano-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate

Systemtic Name: [3-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-cyano-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate Openeye Name: [3-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-4-cyano-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate CAS Name: tetradecanoic acid [3-[[5-(4-amino-2-oxo-1-pyrimidinyl)-4-cyano-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-2-(1-oxotetradecoxy)propyl] ester IUPAC Name: [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-4-cyano-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate Traditional Name: myristic acid [3-[[5-(4-amino-2-keto-pyrimidin-1-yl)-4-cyano-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-tetradecanoyloxy-propyl] ester Formula: C41H71N4O11P MolecularWeight: 826.996401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)C#N)O)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)C#N)O)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C41H71N4O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-37(46)52-30-33(55-38(47)26-24-22-20-18-16-14-12-10-8-6-4-2)31-53-57(50,51)54-32-35-39(48)34(29-42)40(56-35)45-28-27-36(43)44-41(45)49/h27-28,33-35,39-40,48H,3-26,30-32H2,1-2H3,(H,50,51)(H2,43,44,49)