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

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonyl-3-phenyl-guanidine Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-2-(p-tolylsulfonyl)guanidine CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-2-(4-methylphenyl)sulfonyl-3-phenylguanidine IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonyl-3-phenylguanidine Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-2-tosyl-guanidine Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-14-9-11-18(12-10-14)28(26,27)25-20(23-17-7-5-4-6-8-17)24-19-21-15(2)13-16(3)22-19/h4-13H,1-3H3,(H2,21,22,23,24,25)