3-methyl-1,7-bis(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione

Systemtic Name: 3-methyl-1,7-bis(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione Openeye Name: 1,7-bis(5-hydroxy-5-methyl-hexyl)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(5-hydroxy-5-methyl-hexyl)-3-methyl-xanthine Formula: C20H34N4O4 MolecularWeight: 394.50836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O)O

Isomeric SMILES

CC(C)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O)O

InChI

InChI=1S/C20H34N4O4/c1-19(2,27)10-6-8-12-23-14-21-16-15(23)17(25)24(18(26)22(16)5)13-9-7-11-20(3,4)28/h14,27-28H,6-13H2,1-5H3