1-(2-bromophenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(phenylmethyl)sulfonyl-guanidine

Systemtic Name: 1-(2-bromophenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(phenylmethyl)sulfonyl-guanidine Openeye Name: 2-benzylsulfonyl-1-(2-bromophenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine CAS Name: 1-(2-bromophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-2-(phenylmethyl)sulfonylguanidine IUPAC Name: 2-benzylsulfonyl-1-(2-bromophenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine Traditional Name: 2-benzylsulfonyl-1-(2-bromophenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine Formula: C20H20BrN5O2S MolecularWeight: 474.3741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NS(=O)(=O)CC2=CC=CC=C2)NC3=CC=CC=C3Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C(=N\S(=O)(=O)CC2=CC=CC=C2)/NC3=CC=CC=C3Br)C

InChI

InChI=1S/C20H20BrN5O2S/c1-14-12-15(2)23-19(22-14)25-20(24-18-11-7-6-10-17(18)21)26-29(27,28)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H2,22,23,24,25,26)