7-(2,2-dimethylbutanoyl)-3-methyl-1-[9-(oxiran-2-yl)nonyl]purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylbutanoyl)-3-methyl-1-[9-(oxiran-2-yl)nonyl]purine-2,6-dione Openeye Name: 7-(2,2-dimethylbutanoyl)-3-methyl-1-[9-(oxiran-2-yl)nonyl]purine-2,6-dione CAS Name: 7-(2,2-dimethyl-1-oxobutyl)-3-methyl-1-[9-(2-oxiranyl)nonyl]purine-2,6-dione IUPAC Name: 7-(2,2-dimethylbutanoyl)-3-methyl-1-[9-(oxiran-2-yl)nonyl]purine-2,6-dione Traditional Name: 7-(2,2-dimethylbutanoyl)-3-methyl-1-[9-(oxiran-2-yl)nonyl]xanthine Formula: C23H36N4O4 MolecularWeight: 432.55634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCC3CO3

Isomeric SMILES

CCC(C)(C)C(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCC3CO3

InChI

InChI=1S/C23H36N4O4/c1-5-23(2,3)21(29)27-16-24-19-18(27)20(28)26(22(30)25(19)4)14-12-10-8-6-7-9-11-13-17-15-31-17/h16-17H,5-15H2,1-4H3