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3-ethyl-1-(6-methyl-6-oxidanyl-heptyl)-7-propyl-purine-2,6-dione

3-ethyl-1-(6-methyl-6-oxidanyl-heptyl)-7-propyl-purine-2,6-dione

Systemtic Name:3-ethyl-1-(6-methyl-6-oxidanyl-heptyl)-7-propyl-purine-2,6-dione
Openeye Name:3-ethyl-1-(6-hydroxy-6-methyl-heptyl)-7-propyl-purine-2,6-dione
CAS Name:3-ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylpurine-2,6-dione
IUPAC Name:3-ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylpurine-2,6-dione
Traditional Name:3-ethyl-1-(6-hydroxy-6-methyl-heptyl)-7-propyl-xanthine
Formula: C18H30N4O3
MolecularWeight: 350.4558
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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCCC(C)(C)O


Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCCC(C)(C)O


InChI

InChI=1S/C18H30N4O3/c1-5-11-20-13-19-15-14(20)16(23)22(17(24)21(15)6-2)12-9-7-8-10-18(3,4)25/h13,25H,5-12H2,1-4H3


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