7-(6-bromanylhexyl)-1,3-dimethyl-purine-2,6-dione; 1,3-dimethyl-7-(6-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 7-(6-bromanylhexyl)-1,3-dimethyl-purine-2,6-dione; 1,3-dimethyl-7-(6-oxidanylhexyl)purine-2,6-dione Openeye Name: 7-(6-bromohexyl)-1,3-dimethyl-purine-2,6-dione; 7-(6-hydroxyhexyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(6-bromohexyl)-1,3-dimethylpurine-2,6-dione; 7-(6-hydroxyhexyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(6-bromohexyl)-1,3-dimethylpurine-2,6-dione; 7-(6-hydroxyhexyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(6-bromohexyl)-1,3-dimethyl-xanthine; 7-(6-hydroxyhexyl)-1,3-dimethyl-xanthine Formula: C26H39BrN8O5 MolecularWeight: 623.54246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCO.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCBr

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCO.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCBr

InChI

InChI=1S/C13H19BrN4O2.C13H20N4O3/c1-16-11-10(12(19)17(2)13(16)20)18(9-15-11)8-6-4-3-5-7-14;1-15-11-10(12(19)16(2)13(15)20)17(9-14-11)7-5-3-4-6-8-18/h9H,3-8H2,1-2H3;9,18H,3-8H2,1-2H3