8-bromanyl-3-methyl-4-phosphonato-1-propyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-4-phosphonato-1-propyl-purine-2,6-dione Openeye Name: 8-bromo-3-methyl-4-phosphonato-1-propyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-4-phosphonato-1-propylpurine-2,6-dione IUPAC Name: 8-bromo-3-methyl-4-phosphonato-1-propylpurine-2,6-dione Traditional Name: 8-bromo-3-methyl-4-phosphonato-1-propyl-xanthine Formula: C9H10BrN4O5P-2 MolecularWeight: 365.077261

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=NC(=NC2(N(C1=O)C)P(=O)([O-])[O-])Br

Isomeric SMILES

CCCN1C(=O)C2=NC(=NC2(N(C1=O)C)P(=O)([O-])[O-])Br

InChI

InChI=1S/C9H12BrN4O5P/c1-3-4-14-6(15)5-9(20(17,18)19,12-7(10)11-5)13(2)8(14)16/h3-4H2,1-2H3,(H2,17,18,19)/p-2