8-ethenyl-1,3-dimethyl-7-(2-oxidanylbutyl)purine-2,6-dione

Systemtic Name: 8-ethenyl-1,3-dimethyl-7-(2-oxidanylbutyl)purine-2,6-dione Openeye Name: 7-(2-hydroxybutyl)-1,3-dimethyl-8-vinyl-purine-2,6-dione CAS Name: 8-ethenyl-7-(2-hydroxybutyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-ethenyl-7-(2-hydroxybutyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-hydroxybutyl)-1,3-dimethyl-8-vinyl-xanthine Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=C)O

Isomeric SMILES

CCC(CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=C)O

InChI

InChI=1S/C13H18N4O3/c1-5-8(18)7-17-9(6-2)14-11-10(17)12(19)16(4)13(20)15(11)3/h6,8,18H,2,5,7H2,1,3-4H3