[5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3,4-di(hexadecanoyloxy)oxolan-2-yl]methyl hexadecanoate

Systemtic Name: [5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3,4-di(hexadecanoyloxy)oxolan-2-yl]methyl hexadecanoate Openeye Name: [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-di(hexadecanoyloxy)tetrahydrofuran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis(1-oxohexadecoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(hexadecanoyloxy)oxolan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-di(hexadecanoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C58H103N5O7S MolecularWeight: 1014.53272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H103N5O7S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(64)67-46-48-53(69-50(65)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54(57(68-48)63-47-60-52-55(63)61-58(59)62-56(52)71)70-51(66)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h47-48,53-54,57H,4-46H2,1-3H3,(H3,59,61,62,71)