2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-[4-(cyclohexylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-[4-(cyclohexylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide Formula: C19H23N7O4S2 MolecularWeight: 477.56042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

InChI

InChI=1S/C19H23N7O4S2/c20-18-23-16-15(17(28)25-18)22-19(24-16)31-10-14(27)21-11-6-8-13(9-7-11)32(29,30)26-12-4-2-1-3-5-12/h6-9,12,26H,1-5,10H2,(H,21,27)(H4,20,22,23,24,25,28)