8-bromanyl-3-methyl-7-(3-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(3-oxidanylpropyl)purine-2,6-dione Openeye Name: 8-bromo-7-(3-hydroxypropyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-(3-hydroxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(3-hydroxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(3-hydroxypropyl)-3-methyl-xanthine Formula: C9H11BrN4O3 MolecularWeight: 303.11264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCO

InChI

InChI=1S/C9H11BrN4O3/c1-13-6-5(7(16)12-9(13)17)14(3-2-4-15)8(10)11-6/h15H,2-4H2,1H3,(H,12,16,17)