3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propionamide Formula: C17H14ClN7O2S MolecularWeight: 415.85676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C17H14ClN7O2S/c18-17-23-15-13(20-9-21-15)16(24-17)28-7-6-11(26)19-8-12-22-14(25-27-12)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,19,26)(H,20,21,23,24)