3-methyl-1,7-bis(1-oxidanyloctyl)purine-2,6-dione

Systemtic Name: 3-methyl-1,7-bis(1-oxidanyloctyl)purine-2,6-dione Openeye Name: 1,7-bis(1-hydroxyoctyl)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis(1-hydroxyoctyl)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis(1-hydroxyoctyl)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(1-hydroxyoctyl)-3-methyl-xanthine Formula: C22H38N4O4 MolecularWeight: 422.56152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCC)O)O

Isomeric SMILES

CCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCC)O)O

InChI

InChI=1S/C22H38N4O4/c1-4-6-8-10-12-14-17(27)25-16-23-20-19(25)21(29)26(22(30)24(20)3)18(28)15-13-11-9-7-5-2/h16-18,27-28H,4-15H2,1-3H3