3-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C21H23ClN4O2S2 MolecularWeight: 463.01592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)S(=O)(=O)N(C)C)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)S(=O)(=O)N(C)C)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4O2S2/c1-4-18-19(15-8-10-16(22)11-9-15)20(23)25-21(24-18)29-13-14-6-5-7-17(12-14)30(27,28)26(2)3/h5-12H,4,13H2,1-3H3,(H2,23,24,25)