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7-(2,2-dimethylbutanoyl)-3-methyl-1-(5-oxidanylidenehexyl)purine-2,6-dione

7-(2,2-dimethylbutanoyl)-3-methyl-1-(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name:7-(2,2-dimethylbutanoyl)-3-methyl-1-(5-oxidanylidenehexyl)purine-2,6-dione
Openeye Name:7-(2,2-dimethylbutanoyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione
CAS Name:7-(2,2-dimethyl-1-oxobutyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione
IUPAC Name:7-(2,2-dimethylbutanoyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione
Traditional Name:7-(2,2-dimethylbutanoyl)-1-(5-ketohexyl)-3-methyl-xanthine
Formula: C18H26N4O4
MolecularWeight: 362.42344
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C


Isomeric SMILES

CCC(C)(C)C(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C


InChI

InChI=1S/C18H26N4O4/c1-6-18(3,4)16(25)22-11-19-14-13(22)15(24)21(17(26)20(14)5)10-8-7-9-12(2)23/h11H,6-10H2,1-5H3


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