2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)propanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)propanamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)propanamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(3-sulfamoylphenyl)propionamide Formula: C21H22ClN5O3S2 MolecularWeight: 492.01408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN5O3S2/c1-3-17-18(13-7-9-14(22)10-8-13)19(23)27-21(26-17)31-12(2)20(28)25-15-5-4-6-16(11-15)32(24,29)30/h4-12H,3H2,1-2H3,(H,25,28)(H2,23,26,27)(H2,24,29,30)