3-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]-N-(4-sulfamoylphenyl)propionamide Formula: C15H21N7O3S2 MolecularWeight: 411.50234

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)CSCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)CSCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C15H21N7O3S2/c1-22(2)15-20-12(19-14(16)21-15)9-26-8-7-13(23)18-10-3-5-11(6-4-10)27(17,24)25/h3-6H,7-9H2,1-2H3,(H,18,23)(H2,17,24,25)(H2,16,19,20,21)