8-bromanyl-7-(3-chloranyl-2-oxidanyl-propyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-(3-chloranyl-2-oxidanyl-propyl)-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-(3-chloro-2-hydroxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-(3-chloro-2-hydroxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-(3-chloro-2-hydroxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(3-chloro-2-hydroxy-propyl)-3-methyl-xanthine Formula: C9H10BrClN4O3 MolecularWeight: 337.5577

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(CCl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(CCl)O

InChI

InChI=1S/C9H10BrClN4O3/c1-14-6-5(7(17)13-9(14)18)15(8(10)12-6)3-4(16)2-11/h4,16H,2-3H2,1H3,(H,13,17,18)