2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(2-chloro-7H-purin-6-yl)thio]acetamide Formula: C14H12ClN5OS MolecularWeight: 333.79598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C14H12ClN5OS/c15-14-19-12-11(17-8-18-12)13(20-14)22-7-10(21)16-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,21)(H,17,18,19,20)