[3,4-di(octadecanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl octadecanoate

Systemtic Name: [3,4-di(octadecanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl octadecanoate Openeye Name: [3,4-di(octadecanoyloxy)-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl octadecanoate CAS Name: octadecanoic acid [3,4-bis(1-oxooctadecoxy)-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-di(octadecanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl octadecanoate Traditional Name: stearic acid [3,4-distearoyloxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C64H114N4O7S MolecularWeight: 1083.67756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C64H114N4O7S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(69)72-52-55-60(74-57(70)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)61(64(73-55)68-54-67-59-62(68)65-53-66-63(59)76)75-58(71)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h53-55,60-61,64H,4-52H2,1-3H3,(H,65,66,76)