[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-1-propyl-purin-4-yl]phosphonic acid

Systemtic Name: [8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-1-propyl-purin-4-yl]phosphonic acid Openeye Name: (8-bromo-3-methyl-2,6-dioxo-1-propyl-purin-4-yl)phosphonic acid CAS Name: (8-bromo-3-methyl-2,6-dioxo-1-propyl-4-purinyl)phosphonic acid IUPAC Name: (8-bromo-3-methyl-2,6-dioxo-1-propylpurin-4-yl)phosphonic acid Traditional Name: (8-bromo-2,6-diketo-3-methyl-1-propyl-purin-4-yl)phosphonic acid Formula: C9H12BrN4O5P MolecularWeight: 367.093141

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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)