2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(4-hydroxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(4-hydroxyphenyl)ethyl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(4-hydroxyphenyl)ethyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(4-hydroxyphenyl)ethyl]acetamide Formula: C15H14ClN5O2S MolecularWeight: 363.82196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CSC2=NC(=NC3=C2NC=N3)Cl)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CSC2=NC(=NC3=C2NC=N3)Cl)O

InChI

InChI=1S/C15H14ClN5O2S/c16-15-20-13-12(18-8-19-13)14(21-15)24-7-11(23)17-6-5-9-1-3-10(22)4-2-9/h1-4,8,22H,5-7H2,(H,17,23)(H,18,19,20,21)