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3-(2-hydroxyethyl)-1,7-bis(6-oxidanyldecyl)purine-2,6-dione

3-(2-hydroxyethyl)-1,7-bis(6-oxidanyldecyl)purine-2,6-dione

Systemtic Name:3-(2-hydroxyethyl)-1,7-bis(6-oxidanyldecyl)purine-2,6-dione
Openeye Name:1,7-bis(6-hydroxydecyl)-3-(2-hydroxyethyl)purine-2,6-dione
CAS Name:1,7-bis(6-hydroxydecyl)-3-(2-hydroxyethyl)purine-2,6-dione
IUPAC Name:1,7-bis(6-hydroxydecyl)-3-(2-hydroxyethyl)purine-2,6-dione
Traditional Name:1,7-bis(6-hydroxydecyl)-3-(2-hydroxyethyl)xanthine
Formula: C27H48N4O5
MolecularWeight: 508.69382
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCN1C=NC2=C1C(=O)N(C(=O)N2CCO)CCCCCC(CCCC)O)O


Isomeric SMILES

CCCCC(CCCCCN1C=NC2=C1C(=O)N(C(=O)N2CCO)CCCCCC(CCCC)O)O


InChI

InChI=1S/C27H48N4O5/c1-3-5-13-22(33)15-9-7-11-17-29-21-28-25-24(29)26(35)31(27(36)30(25)19-20-32)18-12-8-10-16-23(34)14-6-4-2/h21-23,32-34H,3-20H2,1-2H3


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