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N-(7H-purin-6-ylsulfanylmethyl)benzamide

N-(7H-purin-6-ylsulfanylmethyl)benzamide

Systemtic Name:N-(7H-purin-6-ylsulfanylmethyl)benzamide
Openeye Name:N-(7H-purin-6-ylsulfanylmethyl)benzamide
CAS Name:N-[(7H-purin-6-ylthio)methyl]benzamide
IUPAC Name:N-(7H-purin-6-ylsulfanylmethyl)benzamide
Traditional Name:N-[(7H-purin-6-ylthio)methyl]benzamide
Formula: C13H11N5OS
MolecularWeight: 285.32434
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCSC2=NC=NC3=C2NC=N3


Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCSC2=NC=NC3=C2NC=N3


InChI

InChI=1S/C13H11N5OS/c19-12(9-4-2-1-3-5-9)18-8-20-13-10-11(15-6-14-10)16-7-17-13/h1-7H,8H2,(H,18,19)(H,14,15,16,17)


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