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

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-hexadecanoyloxy-oxolan-2-yl]methyl hexadecanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hexadecanoyloxy-tetrahydrofuran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3-(1-oxohexadecoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hexadecanoyloxyoxolan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid [5-(2-amino-6-keto-3H-purin-9-yl)-3-hexadecanoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C42H73N5O6 MolecularWeight: 744.05892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C42H73N5O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(48)51-32-35-34(31-36(52-35)47-33-44-39-40(47)45-42(43)46-41(39)50)53-38(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36H,3-32H2,1-2H3,(H3,43,45,46,50)