sodium 1-[2,4-bis(bromanyl)phenyl]-2,4-dimethyl-6-oxidanylidene-pyrimidine-5-sulfonate

Systemtic Name: sodium 1-[2,4-bis(bromanyl)phenyl]-2,4-dimethyl-6-oxidanylidene-pyrimidine-5-sulfonate Openeye Name: sodium 1-(2,4-dibromophenyl)-2,4-dimethyl-6-oxo-pyrimidine-5-sulfonate CAS Name: sodium 1-(2,4-dibromophenyl)-2,4-dimethyl-6-oxo-5-pyrimidinesulfonate IUPAC Name: sodium 1-(2,4-dibromophenyl)-2,4-dimethyl-6-oxopyrimidine-5-sulfonate Traditional Name: sodium 1-(2,4-dibromophenyl)-6-keto-2,4-dimethyl-pyrimidine-5-sulfonate Formula: C12H9Br2N2NaO4S MolecularWeight: 460.07363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)C)C2=C(C=C(C=C2)Br)Br)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)C)C2=C(C=C(C=C2)Br)Br)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H10Br2N2O4S.Na/c1-6-11(21(18,19)20)12(17)16(7(2)15-6)10-4-3-8(13)5-9(10)14;/h3-5H,1-2H3,(H,18,19,20);/q;+1/p-1