2-[[6-(2,4-dichlorophenyl)-7H-purin-2-yl]sulfanyl]-N-ethyl-2-methyl-propanamide

Systemtic Name: 2-[[6-(2,4-dichlorophenyl)-7H-purin-2-yl]sulfanyl]-N-ethyl-2-methyl-propanamide Openeye Name: 2-[[6-(2,4-dichlorophenyl)-7H-purin-2-yl]sulfanyl]-N-ethyl-2-methyl-propanamide CAS Name: 2-[[6-(2,4-dichlorophenyl)-7H-purin-2-yl]thio]-N-ethyl-2-methylpropanamide IUPAC Name: 2-[[6-(2,4-dichlorophenyl)-7H-purin-2-yl]sulfanyl]-N-ethyl-2-methylpropanamide Traditional Name: 2-[[6-(2,4-dichlorophenyl)-7H-purin-2-yl]thio]-N-ethyl-2-methyl-propionamide Formula: C17H17Cl2N5OS MolecularWeight: 410.32078

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)(C)SC1=NC(=C2C(=N1)N=CN2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCNC(=O)C(C)(C)SC1=NC(=C2C(=N1)N=CN2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H17Cl2N5OS/c1-4-20-15(25)17(2,3)26-16-23-12(13-14(24-16)22-8-21-13)10-6-5-9(18)7-11(10)19/h5-8H,4H2,1-3H3,(H,20,25)(H,21,22,23,24)