[1-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-3-methyl-2-oxidanylidene-butyl] hexadecanoate

Systemtic Name: [1-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-3-methyl-2-oxidanylidene-butyl] hexadecanoate Openeye Name: [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-3-methyl-2-oxo-butyl] hexadecanoate CAS Name: hexadecanoic acid [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]-3-methyl-2-oxobutyl] ester IUPAC Name: [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]-3-methyl-2-oxobutyl] hexadecanoate Traditional Name: palmitic acid [1-[5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-keto-3-methyl-butyl] ester Formula: C30H49N5O6 MolecularWeight: 575.73996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49N5O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(37)41-27(25(38)20(2)3)26-21(36)18-22(40-26)35-19-32-24-28(35)33-30(31)34-29(24)39/h19-22,26-27,36H,4-18H2,1-3H3,(H3,31,33,34,39)