7-(2,2-dimethylbutanoyl)-3-methyl-1-undec-10-enyl-purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylbutanoyl)-3-methyl-1-undec-10-enyl-purine-2,6-dione Openeye Name: 7-(2,2-dimethylbutanoyl)-3-methyl-1-undec-10-enyl-purine-2,6-dione CAS Name: 7-(2,2-dimethyl-1-oxobutyl)-3-methyl-1-undec-10-enylpurine-2,6-dione IUPAC Name: 7-(2,2-dimethylbutanoyl)-3-methyl-1-undec-10-enylpurine-2,6-dione Traditional Name: 7-(2,2-dimethylbutanoyl)-3-methyl-1-undec-10-enyl-xanthine Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O3/c1-6-8-9-10-11-12-13-14-15-16-26-20(28)18-19(25(5)22(26)30)24-17-27(18)21(29)23(3,4)7-2/h6,17H,1,7-16H2,2-5H3