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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[(2-chlorophenyl)methyl]propanamide Openeye Name: N-[(2-chlorophenyl)methyl]-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanamide CAS Name: N-[(2-chlorophenyl)methyl]-3-[(2-chloro-7H-purin-6-yl)thio]propanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanamide Traditional Name: N-(2-chlorobenzyl)-3-[(2-chloro-7H-purin-6-yl)thio]propionamide Formula: C15H13Cl2N5OS MolecularWeight: 382.26762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13Cl2N5OS/c16-10-4-2-1-3-9(10)7-18-11(23)5-6-24-14-12-13(20-8-19-12)21-15(17)22-14/h1-4,8H,5-7H2,(H,18,23)(H,19,20,21,22)