7-(2,2-dimethylbutanoyl)-3-methyl-1-[7-(oxiran-2-yl)heptyl]purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylbutanoyl)-3-methyl-1-[7-(oxiran-2-yl)heptyl]purine-2,6-dione Openeye Name: 7-(2,2-dimethylbutanoyl)-3-methyl-1-[7-(oxiran-2-yl)heptyl]purine-2,6-dione CAS Name: 7-(2,2-dimethyl-1-oxobutyl)-3-methyl-1-[7-(2-oxiranyl)heptyl]purine-2,6-dione IUPAC Name: 7-(2,2-dimethylbutanoyl)-3-methyl-1-[7-(oxiran-2-yl)heptyl]purine-2,6-dione Traditional Name: 7-(2,2-dimethylbutanoyl)-3-methyl-1-[7-(oxiran-2-yl)heptyl]xanthine Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCC3CO3

Isomeric SMILES

CCC(C)(C)C(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCC3CO3

InChI

InChI=1S/C21H32N4O4/c1-5-21(2,3)19(27)25-14-22-17-16(25)18(26)24(20(28)23(17)4)12-10-8-6-7-9-11-15-13-29-15/h14-15H,5-13H2,1-4H3