1-(3-chloranyl-4-fluoranyl-phenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(phenylmethyl)sulfonyl-guanidine

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(phenylmethyl)sulfonyl-guanidine Openeye Name: 2-benzylsulfonyl-1-(3-chloro-4-fluoro-phenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-2-(phenylmethyl)sulfonylguanidine IUPAC Name: 2-benzylsulfonyl-1-(3-chloro-4-fluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine Traditional Name: 2-benzylsulfonyl-1-(3-chloro-4-fluoro-phenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine Formula: C20H19ClFN5O2S MolecularWeight: 447.913563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NS(=O)(=O)CC2=CC=CC=C2)NC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C(=N\S(=O)(=O)CC2=CC=CC=C2)/NC3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C20H19ClFN5O2S/c1-13-10-14(2)24-19(23-13)26-20(25-16-8-9-18(22)17(21)11-16)27-30(28,29)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,23,24,25,26,27)