N-[6-[[2,6-bis(chloranyl)phenyl]methylsulfonylsulfanyl]-7H-purin-2-yl]ethanamide

Systemtic Name: N-[6-[[2,6-bis(chloranyl)phenyl]methylsulfonylsulfanyl]-7H-purin-2-yl]ethanamide Openeye Name: N-[6-[(2,6-dichlorophenyl)methylsulfonylsulfanyl]-7H-purin-2-yl]acetamide CAS Name: N-[6-[(2,6-dichlorophenyl)methylsulfonylthio]-7H-purin-2-yl]acetamide IUPAC Name: N-[6-[(2,6-dichlorophenyl)methylsulfonylsulfanyl]-7H-purin-2-yl]acetamide Traditional Name: N-[6-[(2,6-dichlorobenzyl)sulfonylthio]-7H-purin-2-yl]acetamide Formula: C14H11Cl2N5O3S2 MolecularWeight: 432.30484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)SS(=O)(=O)CC3=C(C=CC=C3Cl)Cl)NC=N2

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)SS(=O)(=O)CC3=C(C=CC=C3Cl)Cl)NC=N2

InChI

InChI=1S/C14H11Cl2N5O3S2/c1-7(22)19-14-20-12-11(17-6-18-12)13(21-14)25-26(23,24)5-8-9(15)3-2-4-10(8)16/h2-4,6H,5H2,1H3,(H2,17,18,19,20,21,22)