2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(4-sulfamoylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(4-sulfamoylphenyl)methyl]ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-[(4-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(4-sulfamoylbenzyl)acetamide Formula: C21H22ClN5O3S2 MolecularWeight: 492.01408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN5O3S2/c1-2-17-19(14-5-7-15(22)8-6-14)20(23)27-21(26-17)31-12-18(28)25-11-13-3-9-16(10-4-13)32(24,29)30/h3-10H,2,11-12H2,1H3,(H,25,28)(H2,23,26,27)(H2,24,29,30)