6-bromanyl-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-1H-purine-2,8-dione

Systemtic Name: 6-bromanyl-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-1H-purine-2,8-dione Openeye Name: 6-bromo-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-1H-purine-2,8-dione CAS Name: 6-bromo-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,8-dione IUPAC Name: 6-bromo-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,8-dione Traditional Name: 6-bromo-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-1H-purine-2,8-quinone Formula: C15H15BrN4O4 MolecularWeight: 395.208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=O)N(C2=C(NC1=O)Br)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=NC(=O)N(C2=C(NC1=O)Br)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C15H15BrN4O4/c1-19-13-11(12(16)17-14(19)22)20(15(23)18-13)7-9(21)8-24-10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H,17,22)