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N-(2,6-diethylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide

N-(2,6-diethylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide

Systemtic Name:N-(2,6-diethylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
Openeye Name:N-(2,6-diethylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
CAS Name:N-(2,6-diethylphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide
IUPAC Name:N-(2,6-diethylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
Traditional Name:N-(2,6-diethylphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide
Formula: C23H23N5OS
MolecularWeight: 417.52662
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4


Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4


InChI

InChI=1S/C23H23N5OS/c1-3-16-6-5-7-17(4-2)19(16)28-22(29)18-10-8-15(9-11-18)12-30-23-20-21(25-13-24-20)26-14-27-23/h5-11,13-14H,3-4,12H2,1-2H3,(H,28,29)(H,24,25,26,27)


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