7-(1,3,2-benzodioxaphosphol-2-yl)-8-bromanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(1,3,2-benzodioxaphosphol-2-yl)-8-bromanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(1,3,2-benzodioxaphosphol-2-yl)-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(1,3,2-benzodioxaphosphol-2-yl)-8-bromo-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(1,3,2-benzodioxaphosphol-2-yl)-8-bromo-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(1,3,2-benzodioxaphosphol-2-yl)-8-bromo-1,3-dimethyl-xanthine Formula: C13H10BrN4O4P MolecularWeight: 397.120661

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)P3OC4=CC=CC=C4O3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)P3OC4=CC=CC=C4O3

InChI

InChI=1S/C13H10BrN4O4P/c1-16-10-9(11(19)17(2)13(16)20)18(12(14)15-10)23-21-7-5-3-4-6-8(7)22-23/h3-6H,1-2H3