sodium; 5-bromanyl-1H-pyrimidine-2,4-dione; diphenyl phosphate

Systemtic Name: sodium; 5-bromanyl-1H-pyrimidine-2,4-dione; diphenyl phosphate Openeye Name: sodium; 5-bromo-1H-pyrimidine-2,4-dione; diphenyl phosphate CAS Name: sodium; 5-bromo-1H-pyrimidine-2,4-dione; diphenyl phosphate IUPAC Name: sodium; 5-bromo-1H-pyrimidine-2,4-dione; diphenyl phosphate Traditional Name: sodium; 5-bromouracil; diphenyl phosphate Formula: C16H13BrN2NaO6P MolecularWeight: 463.151751

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC=C2.C1=C(C(=O)NC(=O)N1)Br.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC=C2.C1=C(C(=O)NC(=O)N1)Br.[Na+]

InChI

InChI=1S/C12H11O4P.C4H3BrN2O2.Na/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;5-2-1-6-4(9)7-3(2)8;/h1-10H,(H,13,14);1H,(H2,6,7,8,9);/q;;+1/p-1