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3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione; methanamine

3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione; methanamine

Systemtic Name:3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione; methanamine
Openeye Name:1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione; methanamine
CAS Name:1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione; methanamine
IUPAC Name:1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione; methanamine
Traditional Name:1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine; methylamine
Formula: C14H25N5O3
MolecularWeight: 311.38
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O.CN


Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O.CN


InChI

InChI=1S/C13H20N4O3.CH5N/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20;1-2/h8-9,18H,4-7H2,1-3H3;2H2,1H3


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