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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)NC(=O)C(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)NC(=O)C(C)C)O

InChI

InChI=1S/C30H49N5O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(37)40-19-23-22(36)18-24(41-23)35-20-31-26-27(35)32-30(34-29(26)39)33-28(38)21(2)3/h20-24,36H,4-19H2,1-3H3,(H2,32,33,34,38,39)