5-bromanyl-4,6-dimethyl-2-(phenylmethyl)sulfonyl-pyrimidine

Systemtic Name: 5-bromanyl-4,6-dimethyl-2-(phenylmethyl)sulfonyl-pyrimidine Openeye Name: 2-benzylsulfonyl-5-bromo-4,6-dimethyl-pyrimidine CAS Name: 5-bromo-4,6-dimethyl-2-(phenylmethyl)sulfonylpyrimidine IUPAC Name: 2-benzylsulfonyl-5-bromo-4,6-dimethylpyrimidine Traditional Name: 2-benzylsulfonyl-5-bromo-4,6-dimethyl-pyrimidine Formula: C13H13BrN2O2S MolecularWeight: 341.22352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)S(=O)(=O)CC2=CC=CC=C2)C)Br

Isomeric SMILES

CC1=C(C(=NC(=N1)S(=O)(=O)CC2=CC=CC=C2)C)Br

InChI

InChI=1S/C13H13BrN2O2S/c1-9-12(14)10(2)16-13(15-9)19(17,18)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3