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

Systemtic Name: 8-bromanyl-7-(ethoxymethyl)-3-methyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 8-bromo-7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methyl-xanthine Formula: C15H23BrN4O4 MolecularWeight: 403.27152

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCCCC(C)O)C

Isomeric SMILES

CCOCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCCCC(C)O)C

InChI

InChI=1S/C15H23BrN4O4/c1-4-24-9-20-11-12(17-14(20)16)18(3)15(23)19(13(11)22)8-6-5-7-10(2)21/h10,21H,4-9H2,1-3H3