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

Systemtic Name: 7-(2,2-dimethylbutanoyl)-1-methyl-3-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 7-(2,2-dimethylbutanoyl)-3-(5-hydroxyhexyl)-1-methyl-purine-2,6-dione CAS Name: 7-(2,2-dimethyl-1-oxobutyl)-3-(5-hydroxyhexyl)-1-methylpurine-2,6-dione IUPAC Name: 7-(2,2-dimethylbutanoyl)-3-(5-hydroxyhexyl)-1-methylpurine-2,6-dione Traditional Name: 7-(2,2-dimethylbutanoyl)-3-(5-hydroxyhexyl)-1-methyl-xanthine Formula: C18H28N4O4 MolecularWeight: 364.43932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)N1C=NC2=C1C(=O)N(C(=O)N2CCCCC(C)O)C

Isomeric SMILES

CCC(C)(C)C(=O)N1C=NC2=C1C(=O)N(C(=O)N2CCCCC(C)O)C

InChI

InChI=1S/C18H28N4O4/c1-6-18(3,4)16(25)22-11-19-14-13(22)15(24)20(5)17(26)21(14)10-8-7-9-12(2)23/h11-12,23H,6-10H2,1-5H3