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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(phenylmethyl)sulfonyl-guanidine Openeye Name: 2-benzylsulfonyl-1-(3-chloro-2-methyl-phenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine CAS Name: 1-(3-chloro-2-methylphenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-2-(phenylmethyl)sulfonylguanidine IUPAC Name: 2-benzylsulfonyl-1-(3-chloro-2-methylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine Traditional Name: 2-benzylsulfonyl-1-(3-chloro-2-methyl-phenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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