3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-phenethyl-propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-phenethyl-propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-phenethyl-propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-phenethylpropanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-phenethylpropanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-phenethyl-propionamide Formula: C16H16ClN5OS MolecularWeight: 361.84914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C16H16ClN5OS/c17-16-21-14-13(19-10-20-14)15(22-16)24-9-7-12(23)18-8-6-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,18,23)(H,19,20,21,22)