(4-propoxyphenyl) 5-bromanyl-2,4-bis(oxidanylidene)pyrimidine-1-sulfinate

Systemtic Name: (4-propoxyphenyl) 5-bromanyl-2,4-bis(oxidanylidene)pyrimidine-1-sulfinate Openeye Name: (4-propoxyphenyl) 5-bromo-2,4-dioxo-pyrimidine-1-sulfinate CAS Name: 5-bromo-2,4-dioxo-1-pyrimidinesulfinic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 5-bromo-2,4-dioxopyrimidine-1-sulfinate Traditional Name: 5-bromo-2,4-diketo-pyrimidine-1-sulfinic acid (4-propoxyphenyl) ester Formula: C13H13BrN2O5S MolecularWeight: 389.22172

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OS(=O)N2C=C(C(=O)NC2=O)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)O[S@](=O)N2C=C(C(=O)NC2=O)Br

InChI

InChI=1S/C13H13BrN2O5S/c1-2-7-20-9-3-5-10(6-4-9)21-22(19)16-8-11(14)12(17)15-13(16)18/h3-6,8H,2,7H2,1H3,(H,15,17,18)/t22-/m0/s1