(3-bromophenyl) 1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidine-5-sulfonate

Systemtic Name: (3-bromophenyl) 1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidine-5-sulfonate Openeye Name: (3-bromophenyl) 1,3,4-trimethyl-2,6-dioxo-pyrimidine-5-sulfonate CAS Name: 1,3,4-trimethyl-2,6-dioxo-5-pyrimidinesulfonic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonate Traditional Name: 2,4-diketo-1,3,6-trimethyl-pyrimidine-5-sulfonic acid (3-bromophenyl) ester Formula: C13H13BrN2O5S MolecularWeight: 389.22172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)OC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)OC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H13BrN2O5S/c1-8-11(12(17)16(3)13(18)15(8)2)22(19,20)21-10-6-4-5-9(14)7-10/h4-7H,1-3H3