2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3-phenylpropyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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