8-bromanyl-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 8-bromo-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-bromo-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-bromo-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-bromo-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C12H17BrN4O3 MolecularWeight: 345.19238

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)Br)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)Br)N(C1=O)C)O

InChI

InChI=1S/C12H17BrN4O3/c1-7(18)5-3-4-6-17-10(19)8-9(15-11(13)14-8)16(2)12(17)20/h7,18H,3-6H2,1-2H3,(H,14,15)