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7-decyl-3-methyl-1-(5-oxidanylhexyl)purine-2,6-dione

7-decyl-3-methyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name:7-decyl-3-methyl-1-(5-oxidanylhexyl)purine-2,6-dione
Openeye Name:7-decyl-1-(5-hydroxyhexyl)-3-methyl-purine-2,6-dione
CAS Name:7-decyl-1-(5-hydroxyhexyl)-3-methylpurine-2,6-dione
IUPAC Name:7-decyl-1-(5-hydroxyhexyl)-3-methylpurine-2,6-dione
Traditional Name:7-decyl-1-(5-hydroxyhexyl)-3-methyl-xanthine
Formula: C22H38N4O3
MolecularWeight: 406.56212
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)O


Isomeric SMILES

CCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)O


InChI

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


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