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

Systemtic Name: 3-methyl-1,7-bis(1-oxidanylhexyl)purine-2,6-dione Openeye Name: 1,7-bis(1-hydroxyhexyl)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis(1-hydroxyhexyl)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis(1-hydroxyhexyl)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(1-hydroxyhexyl)-3-methyl-xanthine Formula: C18H30N4O4 MolecularWeight: 366.4552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCC)O)O

Isomeric SMILES

CCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCC)O)O

InChI

InChI=1S/C18H30N4O4/c1-4-6-8-10-13(23)21-12-19-16-15(21)17(25)22(18(26)20(16)3)14(24)11-9-7-5-2/h12-14,23-24H,4-11H2,1-3H3