N-[4-[2-(7H-purin-6-ylsulfanyl)ethanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-(7H-purin-6-ylsulfanyl)ethanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-(7H-purin-6-ylsulfanyl)acetyl]phenyl]acetamide CAS Name: N-[4-[1-oxo-2-(7H-purin-6-ylthio)ethyl]phenyl]acetamide IUPAC Name: N-[4-[2-(7H-purin-6-ylsulfanyl)acetyl]phenyl]acetamide Traditional Name: N-[4-[2-(7H-purin-6-ylthio)acetyl]phenyl]acetamide Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H13N5O2S/c1-9(21)20-11-4-2-10(3-5-11)12(22)6-23-15-13-14(17-7-16-13)18-8-19-15/h2-5,7-8H,6H2,1H3,(H,20,21)(H,16,17,18,19)