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

Systemtic Name: [3-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-cyano-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [3-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-4-cyano-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[[5-(4-amino-2-oxo-1-pyrimidinyl)-4-cyano-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-4-cyano-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [3-[[5-(4-amino-2-keto-pyrimidin-1-yl)-4-cyano-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C49H87N4O11P MolecularWeight: 939.209041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)C#N)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)C#N)O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H87N4O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(54)60-38-41(63-46(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)39-61-65(58,59)62-40-43-47(56)42(37-50)48(64-43)53-36-35-44(51)52-49(53)57/h35-36,41-43,47-48,56H,3-34,38-40H2,1-2H3,(H,58,59)(H2,51,52,57)