[19-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-18,20-bis(oxidanylidene)heptatriacontan-19-yl] octadecanoate

Systemtic Name: [19-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-18,20-bis(oxidanylidene)heptatriacontan-19-yl] octadecanoate Openeye Name: [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-1-octadecanoyl-2-oxo-nonadecyl] octadecanoate CAS Name: octadecanoic acid [19-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]-18,20-dioxoheptatriacontan-19-yl] ester IUPAC Name: [19-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]-18,20-dioxoheptatriacontan-19-yl] octadecanoate Traditional Name: stearic acid [1-[5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-keto-1-stearoyl-nonadecyl] ester Formula: C64H115N5O7 MolecularWeight: 1066.6272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)(C(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)(C(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C64H115N5O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(71)64(56(72)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2,60-54(70)52-57(75-60)69-53-66-59-61(69)67-63(65)68-62(59)74)76-58(73)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h53-54,57,60,70H,4-52H2,1-3H3,(H3,65,67,68,74)