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

Systemtic Name: 1-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 1-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)-1-(p-tolylsulfonyl)guanidine CAS Name: 1-(4-chlorophenyl)-2-(4,6-dimethyl-2-pyrimidinyl)-1-(4-methylphenyl)sulfonylguanidine IUPAC Name: 1-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylguanidine Traditional Name: 1-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)-1-tosyl-guanidine Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)Cl)/C(=N/C3=NC(=CC(=N3)C)C)/N

InChI

InChI=1S/C20H20ClN5O2S/c1-13-4-10-18(11-5-13)29(27,28)26(17-8-6-16(21)7-9-17)19(22)25-20-23-14(2)12-15(3)24-20/h4-12H,1-3H3,(H2,22,23,24,25)