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1,3-bis(3-oxidanylbutyl)-7-(2-oxidanylpropyl)purine-2,6-dione

1,3-bis(3-oxidanylbutyl)-7-(2-oxidanylpropyl)purine-2,6-dione

Systemtic Name:1,3-bis(3-oxidanylbutyl)-7-(2-oxidanylpropyl)purine-2,6-dione
Openeye Name:1,3-bis(3-hydroxybutyl)-7-(2-hydroxypropyl)purine-2,6-dione
CAS Name:1,3-bis(3-hydroxybutyl)-7-(2-hydroxypropyl)purine-2,6-dione
IUPAC Name:1,3-bis(3-hydroxybutyl)-7-(2-hydroxypropyl)purine-2,6-dione
Traditional Name:1,3-bis(3-hydroxybutyl)-7-(2-hydroxypropyl)xanthine
Formula: C16H26N4O5
MolecularWeight: 354.40144
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C2=C(C(=O)N(C1=O)CCC(C)O)N(C=N2)CC(C)O)O


Isomeric SMILES

CC(CCN1C2=C(C(=O)N(C1=O)CCC(C)O)N(C=N2)CC(C)O)O


InChI

InChI=1S/C16H26N4O5/c1-10(21)4-6-19-14-13(18(9-17-14)8-12(3)23)15(24)20(16(19)25)7-5-11(2)22/h9-12,21-23H,4-8H2,1-3H3


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