8-bromanyl-7-[(2S)-3-butoxy-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[(2S)-3-butoxy-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(2S)-3-butoxy-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2S)-3-butoxy-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2S)-3-butoxy-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[(2S)-3-butoxy-2-hydroxy-propyl]-3-methyl-xanthine Formula: C13H19BrN4O4 MolecularWeight: 375.21836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CN1C2=C(N=C1Br)N(C(=O)NC2=O)C)O

Isomeric SMILES

CCCCOC[C@H](CN1C2=C(N=C1Br)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C13H19BrN4O4/c1-3-4-5-22-7-8(19)6-18-9-10(15-12(18)14)17(2)13(21)16-11(9)20/h8,19H,3-7H2,1-2H3,(H,16,20,21)/t8-/m0/s1