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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(3-phenylpropyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3-phenylpropyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(3-phenylpropyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(3-phenylpropyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(3-phenylpropyl)propionamide Formula: C17H18ClN5OS MolecularWeight: 375.87572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5OS/c18-17-22-15-14(20-11-21-15)16(23-17)25-10-8-13(24)19-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,19,24)(H,20,21,22,23)