[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] hexadecanoate

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] hexadecanoate Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] hexadecanoate CAS Name: hexadecanoic acid [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] ester IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] hexadecanoate Traditional Name: palmitic acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-butyl] ester Formula: C26H45N5O4 MolecularWeight: 491.6666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)CO

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)CO

InChI

InChI=1S/C26H45N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(33)35-19-21(18-32)16-17-31-20-28-23-24(31)29-26(27)30-25(23)34/h20-21,32H,2-19H2,1H3,(H3,27,29,30,34)