5-bromanyl-1H-pyrimidine-2,4-dione; dimethyl phosphate; 1-methylpyridin-1-ium

Systemtic Name: 5-bromanyl-1H-pyrimidine-2,4-dione; dimethyl phosphate; 1-methylpyridin-1-ium Openeye Name: 5-bromo-1H-pyrimidine-2,4-dione; dimethyl phosphate; 1-methylpyridin-1-ium CAS Name: 5-bromo-1H-pyrimidine-2,4-dione; dimethyl phosphate; 1-methylpyridin-1-ium IUPAC Name: 5-bromo-1H-pyrimidine-2,4-dione; dimethyl phosphate; 1-methylpyridin-1-ium Traditional Name: 5-bromouracil; dimethyl phosphate; 1-methylpyridin-1-ium Formula: C12H17BrN3O6P MolecularWeight: 410.157641

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1.COP(=O)([O-])OC.C1=C(C(=O)NC(=O)N1)Br

Isomeric SMILES

C[N+]1=CC=CC=C1.COP(=O)([O-])OC.C1=C(C(=O)NC(=O)N1)Br

InChI

InChI=1S/C6H8N.C4H3BrN2O2.C2H7O4P/c1-7-5-3-2-4-6-7;5-2-1-6-4(9)7-3(2)8;1-5-7(3,4)6-2/h2-6H,1H3;1H,(H2,6,7,8,9);1-2H3,(H,3,4)/q+1;;/p-1