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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)Br)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/NC2=CC=C(C=C2)Br)\NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H20BrN5O2S/c1-13-4-10-18(11-5-13)29(27,28)26-20(24-17-8-6-16(21)7-9-17)25-19-22-14(2)12-15(3)23-19/h4-12H,1-3H3,(H2,22,23,24,25,26)