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3-ethyl-1,7-bis(1-oxidanyloctadecyl)purine-2,6-dione

3-ethyl-1,7-bis(1-oxidanyloctadecyl)purine-2,6-dione

Systemtic Name:3-ethyl-1,7-bis(1-oxidanyloctadecyl)purine-2,6-dione
Openeye Name:3-ethyl-1,7-bis(1-hydroxyoctadecyl)purine-2,6-dione
CAS Name:3-ethyl-1,7-bis(1-hydroxyoctadecyl)purine-2,6-dione
IUPAC Name:3-ethyl-1,7-bis(1-hydroxyoctadecyl)purine-2,6-dione
Traditional Name:3-ethyl-1,7-bis(1-hydroxyoctadecyl)xanthine
Formula: C43H80N4O4
MolecularWeight: 717.1197
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CC)C(CCCCCCCCCCCCCCCCC)O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CC)C(CCCCCCCCCCCCCCCCC)O)O


InChI

InChI=1S/C43H80N4O4/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(48)46-37-44-41-40(46)42(50)47(43(51)45(41)6-3)39(49)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h37-39,48-49H,4-36H2,1-3H3


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