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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanamide Traditional Name: N-benzyl-3-[(2-chloro-7H-purin-6-yl)thio]propionamide Formula: C15H14ClN5OS MolecularWeight: 347.82256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN5OS/c16-15-20-13-12(18-9-19-13)14(21-15)23-7-6-11(22)17-8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,17,22)(H,18,19,20,21)