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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 1-(3,4-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(p-tolylsulfonyl)guanidine CAS Name: 1-(3,4-dimethylphenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-2-(4-methylphenyl)sulfonylguanidine IUPAC Name: 1-(3,4-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine Traditional Name: 1-(3,4-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-tosyl-guanidine Formula: C22H25N5O2S MolecularWeight: 423.5312

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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)C)C)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-14-6-10-20(11-7-14)30(28,29)27-22(25-19-9-8-15(2)16(3)12-19)26-21-23-17(4)13-18(5)24-21/h6-13H,1-5H3,(H2,23,24,25,26,27)