3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(4-hydroxyphenyl)ethyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(4-hydroxyphenyl)ethyl]propionamide Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl)O

InChI

InChI=1S/C16H16ClN5O2S/c17-16-21-14-13(19-9-20-14)15(22-16)25-8-6-12(24)18-7-5-10-1-3-11(23)4-2-10/h1-4,9,23H,5-8H2,(H,18,24)(H,19,20,21,22)