azanylidene-[2-[[[3-[[5-[4-(hexadecanoylamino)-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-octadecoxy-propoxy]-oxidanyl-phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]imino-azanium

Systemtic Name: azanylidene-[2-[[[3-[[5-[4-(hexadecanoylamino)-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-octadecoxy-propoxy]-oxidanyl-phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]imino-azanium Openeye Name: [2-[[[3-[[5-[4-(hexadecanoylamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-octadecoxy-propoxy]-hydroxy-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]imino-imino-ammonium CAS Name: [2-[[hydroxy-[3-[hydroxy-[[5-[2-oxo-4-(1-oxohexadecylamino)-1-pyrimidinyl]-2-oxolanyl]methoxy]phosphoryl]oxy-2-octadecoxypropoxy]phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]imino-iminoammonium IUPAC Name: [2-[[[3-[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropoxy]-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]imino-iminoazanium Traditional Name: [5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-[[hydroxy-[3-[hydroxy-[[5-(2-keto-4-palmitamido-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-2-stearyloxy-propoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl]imino-imino-ammonium Formula: C56H99N8O15P2+ MolecularWeight: 1186.377382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1CCC(O1)N2C=CC(=NC2=O)NC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)N=[N+]=N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1CCC(O1)N2C=CC(=NC2=O)NC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)N=[N+]=N

InChI

InChI=1S/C56H98N8O15P2/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-38-73-47(43-76-81(71,72)77-44-49-48(61-62-57)39-53(79-49)64-40-45(3)54(66)60-56(64)68)42-75-80(69,70)74-41-46-34-35-52(78-46)63-37-36-50(59-55(63)67)58-51(65)33-31-29-27-25-23-21-17-15-13-11-9-7-5-2/h36-37,40,46-49,52-53,57H,4-35,38-39,41-44H2,1-3H3,(H3-,58,59,60,65,66,67,68,69,70,71,72)/p+1