2-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-methylphenyl)sulfonyl-guanidine

Systemtic Name: 2-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 2-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-(p-tolylsulfonyl)guanidine CAS Name: 2-[(4-chlorophenyl)methyl]-1-(4,6-dimethyl-2-pyrimidinyl)-3-(4-methylphenyl)sulfonylguanidine IUPAC Name: 2-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-methylphenyl)sulfonylguanidine Traditional Name: 2-(4-chlorobenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-tosyl-guanidine Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=C(C=C2)Cl)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=C(C=C2)Cl)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H22ClN5O2S/c1-14-4-10-19(11-5-14)30(28,29)27-20(23-13-17-6-8-18(22)9-7-17)26-21-24-15(2)12-16(3)25-21/h4-12H,13H2,1-3H3,(H2,23,24,25,26,27)