[5-(2-azanyl-6-oxidanylidene-8-sulfanylidene-3,7-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hexadecanoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-8-sulfanylidene-3,7-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hexadecanoate Openeye Name: [5-(2-amino-6-oxo-8-thioxo-3,7-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [5-(2-amino-6-oxo-8-sulfanylidene-3,7-dihydropurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-8-sulfanylidene-3,7-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid [5-(2-amino-6-keto-8-thioxo-3,7-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C26H43N5O6S MolecularWeight: 553.71452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)NC2=S)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)NC2=S)O)O

InChI

InChI=1S/C26H43N5O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(32)36-16-17-20(33)21(34)24(37-17)31-22-19(28-26(31)38)23(35)30-25(27)29-22/h17,20-21,24,33-34H,2-16H2,1H3,(H,28,38)(H3,27,29,30,35)