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3,7-dimethyl-1-(14-oxidanylpentadecyl)purine-2,6-dione

3,7-dimethyl-1-(14-oxidanylpentadecyl)purine-2,6-dione

Systemtic Name:3,7-dimethyl-1-(14-oxidanylpentadecyl)purine-2,6-dione
Openeye Name:1-(14-hydroxypentadecyl)-3,7-dimethyl-purine-2,6-dione
CAS Name:1-(14-hydroxypentadecyl)-3,7-dimethylpurine-2,6-dione
IUPAC Name:1-(14-hydroxypentadecyl)-3,7-dimethylpurine-2,6-dione
Traditional Name:1-(14-hydroxypentadecyl)-3,7-dimethyl-xanthine
Formula: C22H38N4O3
MolecularWeight: 406.56212
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O


Isomeric SMILES

CC(CCCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O


InChI

InChI=1S/C22H38N4O3/c1-18(27)15-13-11-9-7-5-4-6-8-10-12-14-16-26-21(28)19-20(23-17-24(19)2)25(3)22(26)29/h17-18,27H,4-16H2,1-3H3


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